(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

C23H28FN3O2 — CID 95094000

IUPAC(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-17(19-8-3-2-4-9-19)25-22(28)13-12-18-7-6-14-27(16-18)23(29)26-21-11-5-10-20(24)15-21/h2-5,8-11,15,17-18H,6-7,12-14,16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m1/s1
InChIKeyQNMXMTJWXFSEBX-MSOLQXFVSA-N
MW397.49 g/mol
LogP4.73
Rot. Bonds6

About (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (PubChem CID 95094000) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
PubChem CID95094000
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-17(19-8-3-2-4-9-19)25-22(28)13-12-18-7-6-14-27(16-18)23(29)26-21-11-5-10-20(24)15-21/h2-5,8-11,15,17-18H,6-7,12-14,16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m1/s1
InChIKeyQNMXMTJWXFSEBX-MSOLQXFVSA-N
XLogP4.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
CID 95093989
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 129422804
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (CID 95094000) is (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is C[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1.
What is the InChIKey of (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The InChIKey is QNMXMTJWXFSEBX-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17(19-8-3-2-4-9-19)25-22(28)13-12-18-7-6-14-27(16-18)23(29)26-21-11-5-10-20(24)15-21/h2-5,8-11,15,17-18H,6-7,12-14,16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m1/s1.
What are the key properties of (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).