1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide

C20H26N4O2S — CID 55916765

IUPAC1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESN#Cc1c(NC(=O)CCN2CCC(C(=O)NC3CC3)CC2)sc2c1CCC2
InChIInChI=1S/C20H26N4O2S/c21-12-16-15-2-1-3-17(15)27-20(16)23-18(25)8-11-24-9-6-13(7-10-24)19(26)22-14-4-5-14/h13-14H,1-11H2,(H,22,26)(H,23,25)
InChIKeyYKNREIQPQYDEDN-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.43
Rot. Bonds6

About 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide

1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55916765) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55916765
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESN#Cc1c(NC(=O)CCN2CCC(C(=O)NC3CC3)CC2)sc2c1CCC2
InChIInChI=1S/C20H26N4O2S/c21-12-16-15-2-1-3-17(15)27-20(16)23-18(25)8-11-24-9-6-13(7-10-24)19(26)22-14-4-5-14/h13-14H,1-11H2,(H,22,26)(H,23,25)
InChIKeyYKNREIQPQYDEDN-UHFFFAOYSA-N
XLogP2.43
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]piperidine-4-carboxylate
CID 24588636
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 56526746
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 24589097
3-(azepan-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide
CID 705871
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-1-yl)propanamide;oxalic acid
CID 45042536
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589352
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propanamide
CID 112826194
1-N,4-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexane-1,4-dicarboxamide
CID 2375460
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclopropanecarboxamide
CID 679001
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 8688142

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide (CID 55916765) is 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide is N#Cc1c(NC(=O)CCN2CCC(C(=O)NC3CC3)CC2)sc2c1CCC2.
What is the InChIKey of 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is YKNREIQPQYDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c21-12-16-15-2-1-3-17(15)27-20(16)23-18(25)8-11-24-9-6-13(7-10-24)19(26)22-14-4-5-14/h13-14H,1-11H2,(H,22,26)(H,23,25).
What are the key properties of 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55916765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).