2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide

C16H18ClN3OS — CID 138034135

IUPAC2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1ccsc1Cl
InChIInChI=1S/C16H18ClN3OS/c17-15-14(5-10-22-15)16(21)19-13-3-8-20(9-4-13)11-12-1-6-18-7-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H,19,21)
InChIKeyVXBGWUFHRPQKTI-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide

2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 138034135) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID138034135
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1ccsc1Cl
InChIInChI=1S/C16H18ClN3OS/c17-15-14(5-10-22-15)16(21)19-13-3-8-20(9-4-13)11-12-1-6-18-7-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H,19,21)
InChIKeyVXBGWUFHRPQKTI-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136579366
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide (CID 138034135) is 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is VXBGWUFHRPQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-15-14(5-10-22-15)16(21)19-13-3-8-20(9-4-13)11-12-1-6-18-7-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H,19,21).
What are the key properties of 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide?
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 138034135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).