(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H25N3O — CID 17217519

IUPAC(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-3-6-17-8-10-18(11-9-17)20(24)23-15-13-22(14-16-23)19-7-4-5-12-21-19/h4-5,7-12H,2-3,6,13-16H2,1H3
InChIKeyVTWTVVNRWRWSBF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.39
Rot. Bonds5

About (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 17217519) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID17217519
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-3-6-17-8-10-18(11-9-17)20(24)23-15-13-22(14-16-23)19-7-4-5-12-21-19/h4-5,7-12H,2-3,6,13-16H2,1H3
InChIKeyVTWTVVNRWRWSBF-UHFFFAOYSA-N
XLogP3.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 17217519) is (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCCCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VTWTVVNRWRWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-3-6-17-8-10-18(11-9-17)20(24)23-15-13-22(14-16-23)19-7-4-5-12-21-19/h4-5,7-12H,2-3,6,13-16H2,1H3.
What are the key properties of (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 17217519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).