1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one

C22H30N4O2 — CID 4784521

IUPAC1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one
SMILESCc1cc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C22H30N4O2/c1-16(2)21-23-17(3)14-20(24-21)28-18(4)22(27)26-12-10-25(11-13-26)15-19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3
InChIKeyNKZHERHFYHLEGK-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.02
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one

1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one (PubChem CID 4784521) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one
PubChem CID4784521
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one
SMILESCc1cc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C22H30N4O2/c1-16(2)21-23-17(3)14-20(24-21)28-18(4)22(27)26-12-10-25(11-13-26)15-19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3
InChIKeyNKZHERHFYHLEGK-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-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-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
(2S)-1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-4-methylphenoxy)propan-1-one
CID 7694660
1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one
CID 6415258
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55606778
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one (CID 4784521) is 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one is Cc1cc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one?
The InChIKey is NKZHERHFYHLEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(2)21-23-17(3)14-20(24-21)28-18(4)22(27)26-12-10-25(11-13-26)15-19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one?
1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one has a molecular weight of 382.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one is sourced from PubChem (CID 4784521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).