N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H23N3OS — CID 51116637

IUPACN-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H23N3OS/c23-19(17-11-15-5-4-6-16(15)24-17)21-13-14-7-8-18(20-12-14)22-9-2-1-3-10-22/h7-8,11-12H,1-6,9-10,13H2,(H,21,23)
InChIKeyZRKNVMUFRPNFEK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.55
Rot. Bonds4

About N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 51116637) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID51116637
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H23N3OS/c23-19(17-11-15-5-4-6-16(15)24-17)21-13-14-7-8-18(20-12-14)22-9-2-1-3-10-22/h7-8,11-12H,1-6,9-10,13H2,(H,21,23)
InChIKeyZRKNVMUFRPNFEK-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 99702373
N-(1H-pyrazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 60736225
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
N-(pyrimidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 166229920
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572

Frequently Asked Questions

What is the IUPAC name of N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 51116637) is N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NCc1ccc(N2CCCCC2)nc1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is ZRKNVMUFRPNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(17-11-15-5-4-6-16(15)24-17)21-13-14-7-8-18(20-12-14)22-9-2-1-3-10-22/h7-8,11-12H,1-6,9-10,13H2,(H,21,23).
What are the key properties of N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 51116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).