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

C23H31N3O — CID 113110107

IUPAC4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)24-23(27)26-17-15-25(16-18-26)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)
InChIKeyZQUPHNRRKUSCSN-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.59
Rot. Bonds6

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

4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113110107) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113110107
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)24-23(27)26-17-15-25(16-18-26)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)
InChIKeyZQUPHNRRKUSCSN-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide
CID 110366046
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113110107) is 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is ZQUPHNRRKUSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19(2)21-10-12-22(13-11-21)24-23(27)26-17-15-25(16-18-26)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 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).