1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one

C16H22N4O3 — CID 56739229

IUPAC1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
SMILESCOc1ncc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)cn1
InChIInChI=1S/C16H22N4O3/c1-23-16-17-9-12(10-18-16)15(22)19-7-8-20(14(21)11-19)13-5-3-2-4-6-13/h9-10,13H,2-8,11H2,1H3
InChIKeyXPZQIQACAAKFES-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.10
Rot. Bonds3

About 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one

1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one (PubChem CID 56739229) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
PubChem CID56739229
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
SMILESCOc1ncc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)cn1
InChIInChI=1S/C16H22N4O3/c1-23-16-17-9-12(10-18-16)15(22)19-7-8-20(14(21)11-19)13-5-3-2-4-6-13/h9-10,13H,2-8,11H2,1H3
InChIKeyXPZQIQACAAKFES-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 110720744
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
CID 136561683
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
CID 46964597
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 126433395
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one (CID 56739229) is 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one is COc1ncc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)cn1.
What is the InChIKey of 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one?
The InChIKey is XPZQIQACAAKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-23-16-17-9-12(10-18-16)15(22)19-7-8-20(14(21)11-19)13-5-3-2-4-6-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one?
1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 56739229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).