1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide

C25H31FN4O3 — CID 26356143

IUPAC1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C25H31FN4O3/c1-27-24(32)21-16-30(20-8-3-2-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32)
InChIKeyHEPSKZMOLVAJBP-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.81
Rot. Bonds5

About 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide

1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide (PubChem CID 26356143) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
PubChem CID26356143
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Name1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C25H31FN4O3/c1-27-24(32)21-16-30(20-8-3-2-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32)
InChIKeyHEPSKZMOLVAJBP-UHFFFAOYSA-N
XLogP2.81
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26319537
1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26334451
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(furan-2-yl)ethyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45250873
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 26345811
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95880904
5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
CID 26344354
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide (CID 26356143) is 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O.
What is the InChIKey of 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is HEPSKZMOLVAJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O3/c1-27-24(32)21-16-30(20-8-3-2-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32).
What are the key properties of 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide?
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26356143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).