N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

C20H24ClN3O — CID 113110115

IUPACN-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)
InChIKeyXBDKLQZQCOOIJJ-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.12
Rot. Bonds5

About N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110115) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110115
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC NameN-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)
InChIKeyXBDKLQZQCOOIJJ-UHFFFAOYSA-N
XLogP4.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110115) is N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is XBDKLQZQCOOIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 357.88 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-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).