5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate

C82H110N10O9S3 — CID 158489308

IUPAC5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
SMILESCC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)O)C2CCN(c3ncccn3)CC2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(c2ncccn2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1
InChIInChI=1S/C29H38N4O3S.C28H36N4O3S.C25H36N2O3S/c1-20-9-11-22(12-10-20)27(34)33(23-13-17-32(18-14-23)29-30-15-6-16-31-29)24-19-25(21-7-4-3-5-8-21)37-26(24)28(35)36-2;1-19-8-10-21(11-9-19)26(33)32(22-12-16-31(17-13-22)28-29-14-5-15-30-28)23-18-24(36-25(23)27(34)35)20-6-3-2-4-7-20;1-17-8-10-19(11-9-17)24(28)27(20-12-14-26-15-13-20)21-16-22(18-6-4-3-5-7-18)31-23(21)25(29)30-2/h6-7,15-16,19-20,22-23H,3-5,8-14,17-18H2,1-2H3;5-6,14-15,18-19,21-22H,2-4,7-13,16-17H2,1H3,(H,34,35);6,16-17,19-20,26H,3-5,7-15H2,1-2H3
InChIKeyHIMOEXXLVHLFRM-UHFFFAOYSA-N
MW1476.04 g/mol
LogP17.54
Rot. Bonds17

About 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate

5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate (PubChem CID 158489308) has the molecular formula C82H110N10O9S3 and a molecular weight of 1476.04 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
PubChem CID158489308
Molecular FormulaC82H110N10O9S3
Molecular Weight1476.04 g/mol
Exact Mass1474.76
IUPAC Name5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
SMILESCC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)O)C2CCN(c3ncccn3)CC2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(c2ncccn2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1
InChIInChI=1S/C29H38N4O3S.C28H36N4O3S.C25H36N2O3S/c1-20-9-11-22(12-10-20)27(34)33(23-13-17-32(18-14-23)29-30-15-6-16-31-29)24-19-25(21-7-4-3-5-8-21)37-26(24)28(35)36-2;1-19-8-10-21(11-9-19)26(33)32(22-12-16-31(17-13-22)28-29-14-5-15-30-28)23-18-24(36-25(23)27(34)35)20-6-3-2-4-7-20;1-17-8-10-19(11-9-17)24(28)27(20-12-14-26-15-13-20)21-16-22(18-6-4-3-5-7-18)31-23(21)25(29)30-2/h6-7,15-16,19-20,22-23H,3-5,8-14,17-18H2,1-2H3;5-6,14-15,18-19,21-22H,2-4,7-13,16-17H2,1H3,(H,34,35);6,16-17,19-20,26H,3-5,7-15H2,1-2H3
InChIKeyHIMOEXXLVHLFRM-UHFFFAOYSA-N
XLogP17.54
TPSA220.90 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.04
LogP ≤ 517.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

5-(Cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid
CID 11962239
Methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 57795372
Methyl 5-(cyclohexen-1-yl)-3-[2-ethylpentanoyl-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 70989018
Ethane;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 143324492
5-(Cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;propane
CID 143324573
sodium;2-chloropyrimidine;5-(3,3-dimethylbut-1-ynyl)-3-[[(1S,2S)-2,4-dimethylcyclohexanecarbonyl]-(4-hydroxycyclohexyl)amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-(4-pyrimidin-2-yloxycyclohexyl)amino]thiophene-2-carboxylic acid;hydride
CID 158452768
ethyl 5-(2-chloropyrimidin-4-yl)thiophene-2-carboxylate;N-ethyl-N-(2-isocyanoethyl)-5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxamide;ethyl 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylate;5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
CID 159169354
5-acetylthiophene-2-carboxylic acid;N-benzyl-5-[2-[4-(2-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[(E)-3-(dimethylamino)prop-2-enoyl]thiophene-2-carboxylic acid;5-[2-[4-(2-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxylic acid
CID 159515494
5-(Cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[cyclohexyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 159651868
5-(Cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 159964571
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-(1-pyrimidin-2-ylpiperidin-4-ylidene)propyl]thiophene-3-carboxamide;methyl 4-methyl-5-[1-(1-pyrimidin-2-ylpiperidin-4-ylidene)propyl]thiophene-3-carboxylate
CID 160888001
5-(Cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[cyclohexyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylate
CID 161679369

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate?
The IUPAC name of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate (CID 158489308) is 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate is CC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)O)C2CCN(c3ncccn3)CC2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(c2ncccn2)CC1.COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate?
The InChIKey is HIMOEXXLVHLFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3S.C28H36N4O3S.C25H36N2O3S/c1-20-9-11-22(12-10-20)27(34)33(23-13-17-32(18-14-23)29-30-15-6-16-31-29)24-19-25(21-7-4-3-5-8-21)37-26(24)28(35)36-2;1-19-8-10-21(11-9-19)26(33)32(22-12-16-31(17-13-22)28-29-14-5-15-30-28)23-18-24(36-25(23)27(34)35)20-6-3-2-4-7-20;1-17-8-10-19(11-9-17)24(28)27(20-12-14-26-15-13-20)21-16-22(18-6-4-3-5-7-18)31-23(21)25(29)30-2/h6-7,15-16,19-20,22-23H,3-5,8-14,17-18H2,1-2H3;5-6,14-15,18-19,21-22H,2-4,7-13,16-17H2,1H3,(H,34,35);6,16-17,19-20,26H,3-5,7-15H2,1-2H3.
What are the key properties of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate?
5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate has a molecular weight of 1476.04 g/mol, XLogP of 17.54, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-2-ylpiperidin-4-yl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 158489308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).