(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C23H25FN4O2 — CID 42098510

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C23H25FN4O2/c1-16-20(28-11-4-3-8-21(28)25-16)15-26(2)23(30)18-9-10-22(29)27(14-18)13-17-6-5-7-19(24)12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m0/s1
InChIKeyMKKGGGPCSMITBO-SFHVURJKSA-N
MW408.48 g/mol
LogP3.18
Rot. Bonds5

About (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42098510) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID42098510
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C23H25FN4O2/c1-16-20(28-11-4-3-8-21(28)25-16)15-26(2)23(30)18-9-10-22(29)27(14-18)13-17-6-5-7-19(24)12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m0/s1
InChIKeyMKKGGGPCSMITBO-SFHVURJKSA-N
XLogP3.18
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593770
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24816656
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288089
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 45194300
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 42098510) is (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1nc2ccccn2c1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MKKGGGPCSMITBO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-20(28-11-4-3-8-21(28)25-16)15-26(2)23(30)18-9-10-22(29)27(14-18)13-17-6-5-7-19(24)12-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42098510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).