1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide

C29H34N4O4 — CID 44825584

IUPAC1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESCN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)c2)c1)C1CC1
InChIInChI=1S/C29H34N4O4/c1-32(25-12-13-25)28(36)21-6-3-9-24(17-21)30-26(34)16-19-5-2-8-23(15-19)31-27(35)22-7-4-14-33(18-22)29(37)20-10-11-20/h2-3,5-6,8-9,15,17,20,22,25H,4,7,10-14,16,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyKMWQSGNOMBRJHN-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.69
Rot. Bonds8

About 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide (PubChem CID 44825584) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
PubChem CID44825584
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESCN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)c2)c1)C1CC1
InChIInChI=1S/C29H34N4O4/c1-32(25-12-13-25)28(36)21-6-3-9-24(17-21)30-26(34)16-19-5-2-8-23(15-19)31-27(35)22-7-4-14-33(18-22)29(37)20-10-11-20/h2-3,5-6,8-9,15,17,20,22,25H,4,7,10-14,16,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyKMWQSGNOMBRJHN-UHFFFAOYSA-N
XLogP3.69
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825633
1-(cyclopentanecarbonyl)-N-[4-[2-[3-[cyclopentyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825530
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
N-[4-[2-[3-[cyclohexyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 44825733
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
CID 44825625
N-[4-[2-[3-[cyclopentyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-nitrophenyl)sulfonylpiperidine-3-carboxamide
CID 44825740
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825665
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56588395

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide (CID 44825584) is 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide is CN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)c2)c1)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is KMWQSGNOMBRJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-32(25-12-13-25)28(36)21-6-3-9-24(17-21)30-26(34)16-19-5-2-8-23(15-19)31-27(35)22-7-4-14-33(18-22)29(37)20-10-11-20/h2-3,5-6,8-9,15,17,20,22,25H,4,7,10-14,16,18H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 44825584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).