4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide

C23H28N4O3 — CID 6487275

IUPAC4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17(28)24-21(16-18-8-4-2-5-9-18)22(29)25-20-12-14-27(15-13-20)23(30)26-19-10-6-3-7-11-19/h2-11,20-21H,12-16H2,1H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyNKKSGLYWKWLJOP-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.55
Rot. Bonds6

About 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 6487275) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID6487275
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17(28)24-21(16-18-8-4-2-5-9-18)22(29)25-20-12-14-27(15-13-20)23(30)26-19-10-6-3-7-11-19/h2-11,20-21H,12-16H2,1H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyNKKSGLYWKWLJOP-UHFFFAOYSA-N
XLogP2.55
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
CID 6487295
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6487353
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
2-acetamido-3-(4-fluorophenyl)-N-[1-(methylcarbamothioyl)piperidin-4-yl]propanamide
CID 3227002
4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
CID 46537350

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 6487275) is 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide is CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is NKKSGLYWKWLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(28)24-21(16-18-8-4-2-5-9-18)22(29)25-20-12-14-27(15-13-20)23(30)26-19-10-6-3-7-11-19/h2-11,20-21H,12-16H2,1H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 6487275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).