N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide

C24H31N3O2 — CID 1056059

IUPACN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)18-23(29)27-15-13-26(14-16-27)21-11-9-20(10-12-21)25-22(28)17-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyITJWCJBHMBWZMZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.95
Rot. Bonds5

About N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide

N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide (PubChem CID 1056059) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
PubChem CID1056059
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)18-23(29)27-15-13-26(14-16-27)21-11-9-20(10-12-21)25-22(28)17-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyITJWCJBHMBWZMZ-UHFFFAOYSA-N
XLogP3.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.95
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-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
2-phenyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 3667014
3,3-dimethyl-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]butanamide
CID 1057811
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
1-(4-chlorophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea
CID 1056376
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea
CID 4985094

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide (CID 1056059) is N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide is CC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide?
The InChIKey is ITJWCJBHMBWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,3)18-23(29)27-15-13-26(14-16-27)21-11-9-20(10-12-21)25-22(28)17-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide?
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 393.53 g/mol, XLogP of 3.95, 5 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]-2-phenylacetamide is sourced from PubChem (CID 1056059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).