(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C22H29N5O — CID 109309444

IUPAC(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCCN(c2nccc(C(=O)N3CCN(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H29N5O/c1-18-6-5-11-27(16-18)22-23-10-9-20(24-22)21(28)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-4,7-10,18H,5-6,11-17H2,1H3
InChIKeyAHJMZLSHPLRHCA-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.67
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109309444) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109309444
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCCN(c2nccc(C(=O)N3CCN(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H29N5O/c1-18-6-5-11-27(16-18)22-23-10-9-20(24-22)21(28)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-4,7-10,18H,5-6,11-17H2,1H3
InChIKeyAHJMZLSHPLRHCA-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone 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

[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
ethyl 4-[2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310285
4-[4-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302704
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
(4-benzylpiperazin-1-yl)-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309443
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109310002
(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109237470
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 109309444) is (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCCN(c2nccc(C(=O)N3CCN(Cc4ccccc4)CC3)n2)C1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is AHJMZLSHPLRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-18-6-5-11-27(16-18)22-23-10-9-20(24-22)21(28)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-4,7-10,18H,5-6,11-17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109309444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).