(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone

C16H18N4O — CID 110853065

IUPAC(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N4O/c21-16(15-10-17-13-18-11-15)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2
InChIKeyDXYNPIBTQXYSCD-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.43
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone

(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone (PubChem CID 110853065) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
PubChem CID110853065
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N4O/c21-16(15-10-17-13-18-11-15)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2
InChIKeyDXYNPIBTQXYSCD-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone 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

(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone (CID 110853065) is (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone?
The InChIKey is DXYNPIBTQXYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(15-10-17-13-18-11-15)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2.
What are the key properties of (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone?
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 110853065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).