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

C20H24ClN3O — CID 113110979

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-5-2-3-8-19(16)23-11-13-24(14-12-23)20(25)22-10-9-17-6-4-7-18(21)15-17/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyPESNJNRSAMESDL-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.72
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 113110979) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID113110979
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-5-2-3-8-19(16)23-11-13-24(14-12-23)20(25)22-10-9-17-6-4-7-18(21)15-17/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyPESNJNRSAMESDL-UHFFFAOYSA-N
XLogP3.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891987
N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113111009
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
4-(3-chloro-2-methylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109448
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113111006
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18106072

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide (CID 113110979) is N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PESNJNRSAMESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-5-2-3-8-19(16)23-11-13-24(14-12-23)20(25)22-10-9-17-6-4-7-18(21)15-17/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).