(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C19H20FN3O2 — CID 97457753

IUPAC(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-23-17(24)9-8-16(18(23)14-4-6-15(20)7-5-14)19(25)22-12-13-3-2-10-21-11-13/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,22,25)/t16-,18-/m1/s1
InChIKeyKAHHZMGCZUKYFU-SJLPKXTDSA-N
MW341.39 g/mol
LogP2.45
Rot. Bonds4

About (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 97457753) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID97457753
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-23-17(24)9-8-16(18(23)14-4-6-15(20)7-5-14)19(25)22-12-13-3-2-10-21-11-13/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,22,25)/t16-,18-/m1/s1
InChIKeyKAHHZMGCZUKYFU-SJLPKXTDSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 97457751
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 86955595

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 97457753) is (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KAHHZMGCZUKYFU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-23-17(24)9-8-16(18(23)14-4-6-15(20)7-5-14)19(25)22-12-13-3-2-10-21-11-13/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,22,25)/t16-,18-/m1/s1.
What are the key properties of (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97457753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).