1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide

C18H20N2O2S — CID 17395338

IUPAC1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-9-12-23-16(13)18(22)20-10-7-14(8-11-20)17(21)19-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyJQFQWGNMHCFCIZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.55
Rot. Bonds3

About 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 17395338) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID17395338
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-9-12-23-16(13)18(22)20-10-7-14(8-11-20)17(21)19-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyJQFQWGNMHCFCIZ-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 47551610
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 17395338) is 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide is Cc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is JQFQWGNMHCFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-9-12-23-16(13)18(22)20-10-7-14(8-11-20)17(21)19-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17395338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).