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

C16H21FN2O2 — CID 97457717

IUPAC(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-3-10-18-16(21)13-8-9-14(20)19(2)15(13)11-4-6-12(17)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyDKDNFGQEKTUWPG-ZFWWWQNUSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds4

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

(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide (PubChem CID 97457717) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
PubChem CID97457717
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-3-10-18-16(21)13-8-9-14(20)19(2)15(13)11-4-6-12(17)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyDKDNFGQEKTUWPG-ZFWWWQNUSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.26
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
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
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)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(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
(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 86957651

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide (CID 97457717) is (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide?
The InChIKey is DKDNFGQEKTUWPG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-10-18-16(21)13-8-9-14(20)19(2)15(13)11-4-6-12(17)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3,(H,18,21)/t13-,15-/m0/s1.
What are the key properties of (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide?
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 97457717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).