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

C21H27FN4O2 — CID 24816656

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-25-12-10-23-19(25)15-24(2)21(28)17-7-8-20(27)26(14-17)11-9-16-5-4-6-18(22)13-16/h4-6,10,12-13,17H,3,7-9,11,14-15H2,1-2H3
InChIKeyCSMROKQWBAIJGB-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.48
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24816656) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24816656
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-25-12-10-23-19(25)15-24(2)21(28)17-7-8-20(27)26(14-17)11-9-16-5-4-6-18(22)13-16/h4-6,10,12-13,17H,3,7-9,11,14-15H2,1-2H3
InChIKeyCSMROKQWBAIJGB-UHFFFAOYSA-N
XLogP2.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421
(3R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97128790
(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 42244805
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 95199974
(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 42528216
(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098510
methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
CID 42343426
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
1-[2-(3-fluorophenyl)ethyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 24790741
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24816656) is N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCn1ccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is CSMROKQWBAIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-3-25-12-10-23-19(25)15-24(2)21(28)17-7-8-20(27)26(14-17)11-9-16-5-4-6-18(22)13-16/h4-6,10,12-13,17H,3,7-9,11,14-15H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).