(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide

C20H20F2N2O2 — CID 97457672

IUPAC(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-24-18(25)11-10-16(19(24)13-6-8-15(21)9-7-13)20(26)23-12-14-4-2-3-5-17(14)22/h2-9,16,19H,10-12H2,1H3,(H,23,26)/t16-,19+/m0/s1
InChIKeyJIMIXVRCYJJMMF-QFBILLFUSA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds4

About (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 97457672) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID97457672
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-24-18(25)11-10-16(19(24)13-6-8-15(21)9-7-13)20(26)23-12-14-4-2-3-5-17(14)22/h2-9,16,19H,10-12H2,1H3,(H,23,26)/t16-,19+/m0/s1
InChIKeyJIMIXVRCYJJMMF-QFBILLFUSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
(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
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97457753
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
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide (CID 97457672) is (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide is CN1C(=O)CC[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is JIMIXVRCYJJMMF-QFBILLFUSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-24-18(25)11-10-16(19(24)13-6-8-15(21)9-7-13)20(26)23-12-14-4-2-3-5-17(14)22/h2-9,16,19H,10-12H2,1H3,(H,23,26)/t16-,19+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97457672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).