N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C23H31N3O — CID 113110182

IUPACN-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)25-15-17-26(18-16-25)23(27)24-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19H,6,9,14-18H2,1-2H3,(H,24,27)
InChIKeyLOOWKHADMIDJSN-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.27
Rot. Bonds6

About N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113110182) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113110182
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)25-15-17-26(18-16-25)23(27)24-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19H,6,9,14-18H2,1-2H3,(H,24,27)
InChIKeyLOOWKHADMIDJSN-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113110182) is N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is LOOWKHADMIDJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)25-15-17-26(18-16-25)23(27)24-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19H,6,9,14-18H2,1-2H3,(H,24,27).
What are the key properties of N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).