1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide

C21H25N3O2 — CID 46615473

IUPAC1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(20(25)22-18-8-4-2-5-9-18)24-14-12-17(13-15-24)21(26)23-19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyHUPYPGJREJGBHQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide

1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 46615473) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID46615473
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(20(25)22-18-8-4-2-5-9-18)24-14-12-17(13-15-24)21(26)23-19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyHUPYPGJREJGBHQ-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide (CID 46615473) is 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide is CC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is HUPYPGJREJGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(20(25)22-18-8-4-2-5-9-18)24-14-12-17(13-15-24)21(26)23-19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide?
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46615473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).