5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C16H18ClN3OS — CID 71842571

IUPAC5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3OS/c17-14-6-5-13(22-14)16(21)19-11-12-4-7-15(18-10-12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2,(H,19,21)
InChIKeyKTTZMOHNXUGFQM-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 71842571) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID71842571
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3OS/c17-14-6-5-13(22-14)16(21)19-11-12-4-7-15(18-10-12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2,(H,19,21)
InChIKeyKTTZMOHNXUGFQM-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 71842571) is 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is KTTZMOHNXUGFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-14-6-5-13(22-14)16(21)19-11-12-4-7-15(18-10-12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2,(H,19,21).
What are the key properties of 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71842571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).