N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide

C24H31N3O2 — CID 78810004

IUPACN-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-15-27-16-13-21(14-17-27)25-24(29)22(18-19-9-5-3-6-10-19)26-23(28)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3,(H,25,29)(H,26,28)
InChIKeyXUKRFOMQUZUPDD-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.02
Rot. Bonds8

About N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide

N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide (PubChem CID 78810004) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
PubChem CID78810004
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-15-27-16-13-21(14-17-27)25-24(29)22(18-19-9-5-3-6-10-19)26-23(28)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3,(H,25,29)(H,26,28)
InChIKeyXUKRFOMQUZUPDD-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
4-fluoro-N-[(2S)-1-[[(3R)-1-methylpyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 165121978
N-[1-[[(2R)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 68540879
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51728586
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78809641
N-[(2S)-1-[[(3S)-1-cyanopyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 165122061

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide (CID 78810004) is N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide is CCCN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The InChIKey is XUKRFOMQUZUPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-15-27-16-13-21(14-17-27)25-24(29)22(18-19-9-5-3-6-10-19)26-23(28)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide?
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 78810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).