N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide

C22H33N3O2 — CID 42663766

IUPACN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-22(2,3)16-20(26)25-14-12-24(13-15-25)19-10-8-18(9-11-19)23-21(27)17-6-4-5-7-17/h8-11,17H,4-7,12-16H2,1-3H3,(H,23,27)
InChIKeyGFTBWLKDCHPYDI-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 42663766) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID42663766
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-22(2,3)16-20(26)25-14-12-24(13-15-25)19-10-8-18(9-11-19)23-21(27)17-6-4-5-7-17/h8-11,17H,4-7,12-16H2,1-3H3,(H,23,27)
InChIKeyGFTBWLKDCHPYDI-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.90
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-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
1-(4-chlorophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea
CID 1056376
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 1056059
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea
CID 4985094
ethyl N'-[[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate
CID 72644805
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide (CID 42663766) is N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide is CC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1.
What is the InChIKey of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is GFTBWLKDCHPYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-22(2,3)16-20(26)25-14-12-24(13-15-25)19-10-8-18(9-11-19)23-21(27)17-6-4-5-7-17/h8-11,17H,4-7,12-16H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 42663766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).