ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate

C22H30N4O4S — CID 5309298

IUPACethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1
InChIInChI=1S/C22H30N4O4S/c1-3-30-22(29)25-10-6-16(7-11-25)23-20(27)15-5-4-9-26(14-15)21(28)18-13-19-17(24(18)2)8-12-31-19/h8,12-13,15-16H,3-7,9-11,14H2,1-2H3,(H,23,27)
InChIKeyKFWUMUYBEZOXTE-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.83
Rot. Bonds4

About ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 5309298) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID5309298
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Nameethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1
InChIInChI=1S/C22H30N4O4S/c1-3-30-22(29)25-10-6-16(7-11-25)23-20(27)15-5-4-9-26(14-15)21(28)18-13-19-17(24(18)2)8-12-31-19/h8,12-13,15-16H,3-7,9-11,14H2,1-2H3,(H,23,27)
InChIKeyKFWUMUYBEZOXTE-UHFFFAOYSA-N
XLogP2.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883468
N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883463
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 122176166
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
(3R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 92667685
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038957
ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 93061250
ethyl 4-[1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 5308985
ethyl (3S)-1-[4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 93324513
ethyl 1-[4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038889
ethyl (3R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 93324286

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 5309298) is ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1.
What is the InChIKey of ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is KFWUMUYBEZOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-3-30-22(29)25-10-6-16(7-11-25)23-20(27)15-5-4-9-26(14-15)21(28)18-13-19-17(24(18)2)8-12-31-19/h8,12-13,15-16H,3-7,9-11,14H2,1-2H3,(H,23,27).
What are the key properties of ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 446.57 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 5309298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).