3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one

C17H23N3O2 — CID 128862754

IUPAC3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2)C1CC1CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16-15(12-13-4-2-1-3-5-13)20(11-10-19-16)17(22)14-6-8-18-9-7-14/h6-9,13,15H,1-5,10-12H2,(H,19,21)
InChIKeyGUDAJLILVDYITK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.99
Rot. Bonds3

About 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one

3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one (PubChem CID 128862754) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
PubChem CID128862754
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2)C1CC1CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16-15(12-13-4-2-1-3-5-13)20(11-10-19-16)17(22)14-6-8-18-9-7-14/h6-9,13,15H,1-5,10-12H2,(H,19,21)
InChIKeyGUDAJLILVDYITK-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 128862816
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
3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
CID 128866340
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-(pyridine-4-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612103
3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
CID 45246636
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one (CID 128862754) is 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccncc2)C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is GUDAJLILVDYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-15(12-13-4-2-1-3-5-13)20(11-10-19-16)17(22)14-6-8-18-9-7-14/h6-9,13,15H,1-5,10-12H2,(H,19,21).
What are the key properties of 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 128862754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).