N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide

C24H31N3O2 — CID 48851794

IUPACN-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)25-22(28)20-9-11-21(12-10-20)23(29)27-17-15-26(16-18-27)14-13-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyFKJYIIGYORVWBV-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.22
Rot. Bonds5

About N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide

N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide (PubChem CID 48851794) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
PubChem CID48851794
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)25-22(28)20-9-11-21(12-10-20)23(29)27-17-15-26(16-18-27)14-13-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyFKJYIIGYORVWBV-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide 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

N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
(3-methyl-4-nitrophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 41418666
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 91625393

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide?
The IUPAC name of N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide (CID 48851794) is N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide is CC(C)(C)NC(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide?
The InChIKey is FKJYIIGYORVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,3)25-22(28)20-9-11-21(12-10-20)23(29)27-17-15-26(16-18-27)14-13-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide?
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 48851794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).