5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide

C17H19ClN2OS — CID 137372987

IUPAC5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c18-15-7-6-14(22-15)17(21)20-16(12-4-2-1-3-5-12)13-8-10-19-11-9-13/h1-7,13,16,19H,8-11H2,(H,20,21)
InChIKeyAVACDNKPPZEAGT-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 137372987) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID137372987
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c18-15-7-6-14(22-15)17(21)20-16(12-4-2-1-3-5-12)13-8-10-19-11-9-13/h1-7,13,16,19H,8-11H2,(H,20,21)
InChIKeyAVACDNKPPZEAGT-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372787
5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372821
5-chloro-N-[(1S)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372866
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide (CID 137372987) is 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide is O=C(NC(c1ccccc1)C1CCNCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is AVACDNKPPZEAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-7-6-14(22-15)17(21)20-16(12-4-2-1-3-5-12)13-8-10-19-11-9-13/h1-7,13,16,19H,8-11H2,(H,20,21).
What are the key properties of 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 137372987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).