1-(4-pentylpiperazin-1-yl)-2-phenylethanone

C17H26N2O — CID 113075097

IUPAC1-(4-pentylpiperazin-1-yl)-2-phenylethanone
SMILESCCCCCN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3
InChIKeyWVRFARNSCGEWBN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-pentylpiperazin-1-yl)-2-phenylethanone

1-(4-pentylpiperazin-1-yl)-2-phenylethanone (PubChem CID 113075097) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-pentylpiperazin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-pentylpiperazin-1-yl)-2-phenylethanone
PubChem CID113075097
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-pentylpiperazin-1-yl)-2-phenylethanone
SMILESCCCCCN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3
InChIKeyWVRFARNSCGEWBN-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
1-benzyl-4-heptylpiperazine
CID 22088087
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one
CID 53191729
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]acetic acid
CID 62825320

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylpiperazin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(4-pentylpiperazin-1-yl)-2-phenylethanone (CID 113075097) is 1-(4-pentylpiperazin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-pentylpiperazin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-pentylpiperazin-1-yl)-2-phenylethanone is CCCCCN1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-pentylpiperazin-1-yl)-2-phenylethanone?
The InChIKey is WVRFARNSCGEWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3.
What are the key properties of 1-(4-pentylpiperazin-1-yl)-2-phenylethanone?
1-(4-pentylpiperazin-1-yl)-2-phenylethanone has a molecular weight of 274.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylpiperazin-1-yl)-2-phenylethanone is sourced from PubChem (CID 113075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).