1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide

C29H32N4O3 — CID 17422445

IUPAC1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)30-29(36)25-14-8-9-15-26(25)32-27(34)20-33-18-16-23(17-19-33)28(35)31-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,30,36)(H,31,35)(H,32,34)
InChIKeyOVVKLDRIYWKPFF-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.47
Rot. Bonds8

About 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide

1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 17422445) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID17422445
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)30-29(36)25-14-8-9-15-26(25)32-27(34)20-33-18-16-23(17-19-33)28(35)31-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,30,36)(H,31,35)(H,32,34)
InChIKeyOVVKLDRIYWKPFF-UHFFFAOYSA-N
XLogP4.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide (CID 17422445) is 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide is CC(NC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is OVVKLDRIYWKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)30-29(36)25-14-8-9-15-26(25)32-27(34)20-33-18-16-23(17-19-33)28(35)31-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,30,36)(H,31,35)(H,32,34).
What are the key properties of 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17422445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).