(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

C23H28FN3O2 — CID 95093981

IUPAC(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)c1
InChIInChI=1S/C23H28FN3O2/c1-17-5-2-6-19(13-17)15-25-22(28)11-10-18-7-4-12-27(16-18)23(29)26-21-9-3-8-20(24)14-21/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15-16H2,1H3,(H,25,28)(H,26,29)/t18-/m0/s1
InChIKeyNAKVWDDUBMUJAT-SFHVURJKSA-N
MW397.49 g/mol
LogP4.47
Rot. Bonds6

About (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 95093981) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
PubChem CID95093981
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)c1
InChIInChI=1S/C23H28FN3O2/c1-17-5-2-6-19(13-17)15-25-22(28)11-10-18-7-4-12-27(16-18)23(29)26-21-9-3-8-20(24)14-21/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15-16H2,1H3,(H,25,28)(H,26,29)/t18-/m0/s1
InChIKeyNAKVWDDUBMUJAT-SFHVURJKSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
CID 95093989
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 129422804
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (CID 95093981) is (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is Cc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)c1.
What is the InChIKey of (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is NAKVWDDUBMUJAT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-5-2-6-19(13-17)15-25-22(28)11-10-18-7-4-12-27(16-18)23(29)26-21-9-3-8-20(24)14-21/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15-16H2,1H3,(H,25,28)(H,26,29)/t18-/m0/s1.
What are the key properties of (3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.47, 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-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).