3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one

C18H25N3O3 — CID 128862816

IUPAC3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
SMILESCn1ccc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cc1=O
InChIInChI=1S/C18H25N3O3/c1-20-9-7-14(12-16(20)22)18(24)21-10-8-19-17(23)15(21)11-13-5-3-2-4-6-13/h7,9,12-13,15H,2-6,8,10-11H2,1H3,(H,19,23)
InChIKeyBGNQYUFXLOYKMB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds3

About 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one

3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one (PubChem CID 128862816) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
PubChem CID128862816
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
SMILESCn1ccc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cc1=O
InChIInChI=1S/C18H25N3O3/c1-20-9-7-14(12-16(20)22)18(24)21-10-8-19-17(23)15(21)11-13-5-3-2-4-6-13/h7,9,12-13,15H,2-6,8,10-11H2,1H3,(H,19,23)
InChIKeyBGNQYUFXLOYKMB-UHFFFAOYSA-N
XLogP1.30
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 128862754
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 122120035
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
CID 128866340
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one (CID 128862816) is 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one is Cn1ccc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cc1=O.
What is the InChIKey of 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The InChIKey is BGNQYUFXLOYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-9-7-14(12-16(20)22)18(24)21-10-8-19-17(23)15(21)11-13-5-3-2-4-6-13/h7,9,12-13,15H,2-6,8,10-11H2,1H3,(H,19,23).
What are the key properties of 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 128862816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).