N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide

C23H29N3O2S — CID 1056022

IUPACN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)c1cccs1
InChIInChI=1S/C23H29N3O2S/c27-22(12-7-18-4-1-2-5-18)26-15-13-25(14-16-26)20-10-8-19(9-11-20)24-23(28)21-6-3-17-29-21/h3,6,8-11,17-18H,1-2,4-5,7,12-16H2,(H,24,28)
InChIKeyVNYILSSGNVTJOR-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide

N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 1056022) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID1056022
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)c1cccs1
InChIInChI=1S/C23H29N3O2S/c27-22(12-7-18-4-1-2-5-18)26-15-13-25(14-16-26)20-10-8-19(9-11-20)24-23(28)21-6-3-17-29-21/h3,6,8-11,17-18H,1-2,4-5,7,12-16H2,(H,24,28)
InChIKeyVNYILSSGNVTJOR-UHFFFAOYSA-N
XLogP4.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide 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-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-[4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]benzoyl]phenyl]thiophene-2-carboxamide
CID 67687012
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide
CID 1056018
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
CID 1056375
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
ethyl 4-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]anilino]-4-oxobutanoate
CID 3578516
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
2-iodo-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17272420

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide (CID 1056022) is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)c1cccs1.
What is the InChIKey of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is VNYILSSGNVTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-22(12-7-18-4-1-2-5-18)26-15-13-25(14-16-26)20-10-8-19(9-11-20)24-23(28)21-6-3-17-29-21/h3,6,8-11,17-18H,1-2,4-5,7,12-16H2,(H,24,28).
What are the key properties of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide?
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1056022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).