N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

C20H24ClN3O — CID 99170616

IUPACN-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-19-8-6-18(7-9-19)16-22-20(25)24-14-12-23(13-15-24)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)
InChIKeyUPYOLBYAKOYWJZ-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 99170616) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID99170616
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-19-8-6-18(7-9-19)16-22-20(25)24-14-12-23(13-15-24)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)
InChIKeyUPYOLBYAKOYWJZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 99170616) is N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is UPYOLBYAKOYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-19-8-6-18(7-9-19)16-22-20(25)24-14-12-23(13-15-24)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 99170616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).