5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide

C22H27N3O2S — CID 17492804

IUPAC5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C22H27N3O2S/c1-24(15-17-7-3-4-8-18(17)25-13-5-2-6-14-25)22(27)19-11-12-20(28-19)23-21(26)16-9-10-16/h3-4,7-8,11-12,16H,2,5-6,9-10,13-15H2,1H3,(H,23,26)
InChIKeyQXPIXWGBRYHPJQ-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.36
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 17492804) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide
PubChem CID17492804
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C22H27N3O2S/c1-24(15-17-7-3-4-8-18(17)25-13-5-2-6-14-25)22(27)19-11-12-20(28-19)23-21(26)16-9-10-16/h3-4,7-8,11-12,16H,2,5-6,9-10,13-15H2,1H3,(H,23,26)
InChIKeyQXPIXWGBRYHPJQ-UHFFFAOYSA-N
XLogP4.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137700027
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CID 71714379
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N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
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1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
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CID 6620052

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide (CID 17492804) is 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide is CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QXPIXWGBRYHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-24(15-17-7-3-4-8-18(17)25-13-5-2-6-14-25)22(27)19-11-12-20(28-19)23-21(26)16-9-10-16/h3-4,7-8,11-12,16H,2,5-6,9-10,13-15H2,1H3,(H,23,26).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 17492804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).