4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

C22H28ClN3O — CID 113110171

IUPAC4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O/c23-21-10-4-8-20(18-21)11-13-25-14-16-26(17-15-25)22(27)24-12-5-9-19-6-2-1-3-7-19/h1-4,6-8,10,18H,5,9,11-17H2,(H,24,27)
InChIKeyIEJKCJMXNDNVAE-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.84
Rot. Bonds7

About 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110171) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110171
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O/c23-21-10-4-8-20(18-21)11-13-25-14-16-26(17-15-25)22(27)24-12-5-9-19-6-2-1-3-7-19/h1-4,6-8,10,18H,5,9,11-17H2,(H,24,27)
InChIKeyIEJKCJMXNDNVAE-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110171) is 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is IEJKCJMXNDNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c23-21-10-4-8-20(18-21)11-13-25-14-16-26(17-15-25)22(27)24-12-5-9-19-6-2-1-3-7-19/h1-4,6-8,10,18H,5,9,11-17H2,(H,24,27).
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 385.94 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).