1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride

C19H24ClN5O — CID 24845652

IUPAC1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1c1ccnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5O.ClH/c25-18-7-4-10-24(18)17-8-9-20-19(21-17)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16;/h1-3,5-6,8-9H,4,7,10-15H2;1H
InChIKeyPVJMBDCLYUCNCC-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride

1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 24845652) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride
PubChem CID24845652
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1c1ccnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5O.ClH/c25-18-7-4-10-24(18)17-8-9-20-19(21-17)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16;/h1-3,5-6,8-9H,4,7,10-15H2;1H
InChIKeyPVJMBDCLYUCNCC-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride 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-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
CID 24845643
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
4-[4-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride (CID 24845652) is 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1c1ccnc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is PVJMBDCLYUCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.ClH/c25-18-7-4-10-24(18)17-8-9-20-19(21-17)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16;/h1-3,5-6,8-9H,4,7,10-15H2;1H.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride?
1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 373.89 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 24845652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).