(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C27H27N3O3S — CID 40986702

IUPAC(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)[C@@H]2c2cccs2)cc1
InChIInChI=1S/C27H27N3O3S/c1-17-8-12-19(13-9-17)30-24(31)15-14-21(25(30)23-7-4-16-34-23)27(33)29-22-6-3-2-5-20(22)26(32)28-18-10-11-18/h2-9,12-13,16,18,21,25H,10-11,14-15H2,1H3,(H,28,32)(H,29,33)/t21-,25-/m1/s1
InChIKeyRIBQWVDUCACOCP-PXDATVDWSA-N
MW473.60 g/mol
LogP5.07
Rot. Bonds6

About (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 40986702) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID40986702
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)[C@@H]2c2cccs2)cc1
InChIInChI=1S/C27H27N3O3S/c1-17-8-12-19(13-9-17)30-24(31)15-14-21(25(30)23-7-4-16-34-23)27(33)29-22-6-3-2-5-20(22)26(32)28-18-10-11-18/h2-9,12-13,16,18,21,25H,10-11,14-15H2,1H3,(H,28,32)(H,29,33)/t21-,25-/m1/s1
InChIKeyRIBQWVDUCACOCP-PXDATVDWSA-N
XLogP5.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112789008
1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 119450128
1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 16549005
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
(2S,3R)-N-(3-cyanothiophen-2-yl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40985167
2-[[1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78828208
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-1H-pyridin-3-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95139249
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
(2S,3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899623
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
(2S,3R)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899622
(2R,3R)-N-[(2S)-1-methoxypropan-2-yl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 52892748

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 40986702) is (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)[C@@H]2c2cccs2)cc1.
What is the InChIKey of (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is RIBQWVDUCACOCP-PXDATVDWSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-17-8-12-19(13-9-17)30-24(31)15-14-21(25(30)23-7-4-16-34-23)27(33)29-22-6-3-2-5-20(22)26(32)28-18-10-11-18/h2-9,12-13,16,18,21,25H,10-11,14-15H2,1H3,(H,28,32)(H,29,33)/t21-,25-/m1/s1.
What are the key properties of (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 40986702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).