N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide

C23H29N3O2 — CID 110366046

IUPACN-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc(CCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)20-11-8-19(9-12-20)10-13-22(27)25-14-16-26(17-15-25)23(28)24-21-6-4-3-5-7-21/h3-9,11-12,18H,10,13-17H2,1-2H3,(H,24,28)
InChIKeyWOJXSHRTSJTVKC-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.12
Rot. Bonds5

About N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide

N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide (PubChem CID 110366046) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide
PubChem CID110366046
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc(CCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)20-11-8-19(9-12-20)10-13-22(27)25-14-16-26(17-15-25)23(28)24-21-6-4-3-5-7-21/h3-9,11-12,18H,10,13-17H2,1-2H3,(H,24,28)
InChIKeyWOJXSHRTSJTVKC-UHFFFAOYSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-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

4-[3-(4-fluorophenyl)propanoyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811792
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774407
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
1-[3,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 155954520
1-[4-(2-adamantyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 19590985
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide (CID 110366046) is N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide is CC(C)c1ccc(CCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide?
The InChIKey is WOJXSHRTSJTVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(2)20-11-8-19(9-12-20)10-13-22(27)25-14-16-26(17-15-25)23(28)24-21-6-4-3-5-7-21/h3-9,11-12,18H,10,13-17H2,1-2H3,(H,24,28).
What are the key properties of N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide?
N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110366046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).