N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

C23H28FN3O3 — CID 53138111

IUPACN-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C23H28FN3O3/c1-30-21-10-3-2-7-18(21)15-25-22(28)12-11-17-6-5-13-27(16-17)23(29)26-20-9-4-8-19(24)14-20/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMEQRSRFBRPMTJS-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.17
Rot. Bonds7

About N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 53138111) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
PubChem CID53138111
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C23H28FN3O3/c1-30-21-10-3-2-7-18(21)15-25-22(28)12-11-17-6-5-13-27(16-17)23(29)26-20-9-4-8-19(24)14-20/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMEQRSRFBRPMTJS-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(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
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
CID 72920063

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (CID 53138111) is N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is COc1ccccc1CNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is MEQRSRFBRPMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-30-21-10-3-2-7-18(21)15-25-22(28)12-11-17-6-5-13-27(16-17)23(29)26-20-9-4-8-19(24)14-20/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 53138111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).