4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide

C23H27FN4O3 — CID 7407157

IUPAC4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27FN4O3/c1-16(29)25-21(15-17-6-5-7-18(24)14-17)22(30)26-20-10-12-28(13-11-20)23(31)27-19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,25,29)(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyZELKDIAQANIUDA-NRFANRHFSA-N
MW426.49 g/mol
LogP2.69
Rot. Bonds6

About 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 7407157) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID7407157
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27FN4O3/c1-16(29)25-21(15-17-6-5-7-18(24)14-17)22(30)26-20-10-12-28(13-11-20)23(31)27-19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,25,29)(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyZELKDIAQANIUDA-NRFANRHFSA-N
XLogP2.69
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
CID 6487295
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
CID 46537350
2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide
CID 171681568
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
CID 155900097
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 7407157) is 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide is CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZELKDIAQANIUDA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-16(29)25-21(15-17-6-5-7-18(24)14-17)22(30)26-20-10-12-28(13-11-20)23(31)27-19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,25,29)(H,26,30)(H,27,31)/t21-/m0/s1.
What are the key properties of 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 7407157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).