N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide

C26H33N3O2 — CID 1056019

IUPACN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CCC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33N3O2/c1-20-6-9-22(10-7-20)26(31)27-23-11-13-24(14-12-23)28-16-18-29(19-17-28)25(30)15-8-21-4-2-3-5-21/h6-7,9-14,21H,2-5,8,15-19H2,1H3,(H,27,31)
InChIKeyFJZAIEYRRBGTAR-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.87
Rot. Bonds6

About N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide

N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide (PubChem CID 1056019) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
PubChem CID1056019
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CCC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33N3O2/c1-20-6-9-22(10-7-20)26(31)27-23-11-13-24(14-12-23)28-16-18-29(19-17-28)25(30)15-8-21-4-2-3-5-21/h6-7,9-14,21H,2-5,8,15-19H2,1H3,(H,27,31)
InChIKeyFJZAIEYRRBGTAR-UHFFFAOYSA-N
XLogP4.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
ethyl 4-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]anilino]-4-oxobutanoate
CID 3578516
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 1056022
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide
CID 1056018
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
CID 1056375
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 4038929

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide (CID 1056019) is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CCC4CCCC4)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The InChIKey is FJZAIEYRRBGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-20-6-9-22(10-7-20)26(31)27-23-11-13-24(14-12-23)28-16-18-29(19-17-28)25(30)15-8-21-4-2-3-5-21/h6-7,9-14,21H,2-5,8,15-19H2,1H3,(H,27,31).
What are the key properties of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide has a molecular weight of 419.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 1056019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).