1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea

C23H36N4O2S — CID 143591949

IUPAC1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea
SMILESCC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C23H36N4O2S/c1-17-5-2-3-6-20(17)27(23(24)29)19-10-12-25(13-11-19)18-8-14-26(15-9-18)22(28)21-7-4-16-30-21/h4,7,16-20H,2-3,5-6,8-15H2,1H3,(H2,24,29)/t17?,20-/m1/s1
InChIKeyHBAVEBRVTVUQJC-UUSAFJCLSA-N
MW432.63 g/mol
LogP3.78
Rot. Bonds4

About 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea

1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea (PubChem CID 143591949) has the molecular formula C23H36N4O2S and a molecular weight of 432.63 g/mol. Its IUPAC name is 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea
PubChem CID143591949
Molecular FormulaC23H36N4O2S
Molecular Weight432.63 g/mol
Exact Mass432.26
IUPAC Name1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea
SMILESCC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C23H36N4O2S/c1-17-5-2-3-6-20(17)27(23(24)29)19-10-12-25(13-11-19)18-8-14-26(15-9-18)22(28)21-7-4-16-30-21/h4,7,16-20H,2-3,5-6,8-15H2,1H3,(H2,24,29)/t17?,20-/m1/s1
InChIKeyHBAVEBRVTVUQJC-UUSAFJCLSA-N
XLogP3.78
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,7aR)-3-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883080
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697684
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea?
The IUPAC name of 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea (CID 143591949) is 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea?
The canonical SMILES for 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea is CC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea?
The InChIKey is HBAVEBRVTVUQJC-UUSAFJCLSA-N. The full InChI is InChI=1S/C23H36N4O2S/c1-17-5-2-3-6-20(17)27(23(24)29)19-10-12-25(13-11-19)18-8-14-26(15-9-18)22(28)21-7-4-16-30-21/h4,7,16-20H,2-3,5-6,8-15H2,1H3,(H2,24,29)/t17?,20-/m1/s1.
What are the key properties of 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea?
1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea has a molecular weight of 432.63 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea is sourced from PubChem (CID 143591949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).