1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C21H24FN3O2 — CID 24790812

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1
InChIInChI=1S/C21H24FN3O2/c1-15-4-2-7-19(24-15)13-23-21(27)17-8-9-20(26)25(14-17)11-10-16-5-3-6-18(22)12-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,27)
InChIKeyORYDZGYWOIXSBL-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790812) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790812
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1
InChIInChI=1S/C21H24FN3O2/c1-15-4-2-7-19(24-15)13-23-21(27)17-8-9-20(26)25(14-17)11-10-16-5-3-6-18(22)12-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,27)
InChIKeyORYDZGYWOIXSBL-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819416
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-acetamide
CID 10001344
[4-(3-Allylamino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10069753
[4-(3-Amino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10316662
[4-(3-Methylamino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10407257
2-(3,5-Difluorophenyl)-1-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]ethanone
CID 57574885
(3R)-3-amino-1-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695076
2-Methyl-6-{3-[1-(phenylacetyl)piperidin-4-ylidene]prop-1-ynyl}pyridine
CID 87551058
N-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide
CID 23728544
6-(3-fluorophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23729106
US10800755, Example 12
CID 142429255
US10800755, Example 1
CID 142429260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790812) is 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ORYDZGYWOIXSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15-4-2-7-19(24-15)13-23-21(27)17-8-9-20(26)25(14-17)11-10-16-5-3-6-18(22)12-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,27).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).