4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one

C15H21ClN4O2 — CID 133390902

IUPAC4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
SMILESCOc1ncc(Cl)c(N2CCN(CC3CCCC3)C(=O)C2)n1
InChIInChI=1S/C15H21ClN4O2/c1-22-15-17-8-12(16)14(18-15)20-7-6-19(13(21)10-20)9-11-4-2-3-5-11/h8,11H,2-7,9-10H2,1H3
InChIKeyTVVYZHVHEGPGEB-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.98
Rot. Bonds4

About 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one

4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one (PubChem CID 133390902) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
PubChem CID133390902
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
SMILESCOc1ncc(Cl)c(N2CCN(CC3CCCC3)C(=O)C2)n1
InChIInChI=1S/C15H21ClN4O2/c1-22-15-17-8-12(16)14(18-15)20-7-6-19(13(21)10-20)9-11-4-2-3-5-11/h8,11H,2-7,9-10H2,1H3
InChIKeyTVVYZHVHEGPGEB-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)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-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 167788544
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide
CID 133390785
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023
1-(cyclopentylmethyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
CID 133390681
1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 133390727
[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 97324806
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one (CID 133390902) is 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one is COc1ncc(Cl)c(N2CCN(CC3CCCC3)C(=O)C2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The InChIKey is TVVYZHVHEGPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-22-15-17-8-12(16)14(18-15)20-7-6-19(13(21)10-20)9-11-4-2-3-5-11/h8,11H,2-7,9-10H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one has a molecular weight of 324.81 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one is sourced from PubChem (CID 133390902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).