2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide

C23H22FN3O3 — CID 110279403

IUPAC2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)C3CCC(=O)N(C)C3c3ccc(F)cc3)cnc2c1
InChIInChI=1S/C23H22FN3O3/c1-27-21(28)10-9-19(22(27)14-3-6-16(24)7-4-14)23(29)26-17-11-15-5-8-18(30-2)12-20(15)25-13-17/h3-8,11-13,19,22H,9-10H2,1-2H3,(H,26,29)
InChIKeyWPHLFHKXMAMOQZ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide

2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110279403) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110279403
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)C3CCC(=O)N(C)C3c3ccc(F)cc3)cnc2c1
InChIInChI=1S/C23H22FN3O3/c1-27-21(28)10-9-19(22(27)14-3-6-16(24)7-4-14)23(29)26-17-11-15-5-8-18(30-2)12-20(15)25-13-17/h3-8,11-13,19,22H,9-10H2,1-2H3,(H,26,29)
InChIKeyWPHLFHKXMAMOQZ-UHFFFAOYSA-N
XLogP3.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
CID 171143889
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740324
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 110279403) is 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide is COc1ccc2cc(NC(=O)C3CCC(=O)N(C)C3c3ccc(F)cc3)cnc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is WPHLFHKXMAMOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-27-21(28)10-9-19(22(27)14-3-6-16(24)7-4-14)23(29)26-17-11-15-5-8-18(30-2)12-20(15)25-13-17/h3-8,11-13,19,22H,9-10H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide?
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110279403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).