1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one

C24H36N2O2 — CID 60602172

IUPAC1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
SMILESCc1ccc(CCCCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C24H36N2O2/c1-20-10-12-22(13-11-20)8-4-5-9-23(27)25-16-18-26(19-17-25)24(28)15-14-21-6-2-3-7-21/h10-13,21H,2-9,14-19H2,1H3
InChIKeyVFPOLZJLMPODEF-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.35
Rot. Bonds8

About 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one

1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one (PubChem CID 60602172) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
PubChem CID60602172
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
SMILESCc1ccc(CCCCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C24H36N2O2/c1-20-10-12-22(13-11-20)8-4-5-9-23(27)25-16-18-26(19-17-25)24(28)15-14-21-6-2-3-7-21/h10-13,21H,2-9,14-19H2,1H3
InChIKeyVFPOLZJLMPODEF-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.35
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

4-[5-(4-methylphenyl)pentanoyl]-1,4-diazepane-1-carboxamide
CID 56826505
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 119645010
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
CID 55761330
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120667196

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one?
The IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one (CID 60602172) is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one is Cc1ccc(CCCCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one?
The InChIKey is VFPOLZJLMPODEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-20-10-12-22(13-11-20)8-4-5-9-23(27)25-16-18-26(19-17-25)24(28)15-14-21-6-2-3-7-21/h10-13,21H,2-9,14-19H2,1H3.
What are the key properties of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one?
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one has a molecular weight of 384.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 60602172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).