(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide

C23H35FN4O2 — CID 129422804

IUPAC(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C23H35FN4O2/c1-18-6-2-3-13-27(18)15-12-25-22(29)11-10-19-7-5-14-28(17-19)23(30)26-21-9-4-8-20(24)16-21/h4,8-9,16,18-19H,2-3,5-7,10-15,17H2,1H3,(H,25,29)(H,26,30)/t18-,19-/m1/s1
InChIKeyINFIXQIOBXSUDV-RTBURBONSA-N
MW418.56 g/mol
LogP3.84
Rot. Bonds7

About (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide

(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 129422804) has the molecular formula C23H35FN4O2 and a molecular weight of 418.56 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
PubChem CID129422804
Molecular FormulaC23H35FN4O2
Molecular Weight418.56 g/mol
Exact Mass418.27
IUPAC Name(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C23H35FN4O2/c1-18-6-2-3-13-27(18)15-12-25-22(29)11-10-19-7-5-14-28(17-19)23(30)26-21-9-4-8-20(24)16-21/h4,8-9,16,18-19H,2-3,5-7,10-15,17H2,1H3,(H,25,29)(H,26,30)/t18-,19-/m1/s1
InChIKeyINFIXQIOBXSUDV-RTBURBONSA-N
XLogP3.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(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
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
(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-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 95351485
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide (CID 129422804) is (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide is C[C@@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is INFIXQIOBXSUDV-RTBURBONSA-N. The full InChI is InChI=1S/C23H35FN4O2/c1-18-6-2-3-13-27(18)15-12-25-22(29)11-10-19-7-5-14-28(17-19)23(30)26-21-9-4-8-20(24)16-21/h4,8-9,16,18-19H,2-3,5-7,10-15,17H2,1H3,(H,25,29)(H,26,30)/t18-,19-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide?
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 129422804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).