N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

C21H27Cl2N3O — CID 108891987

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)c1C.Cl
InChIInChI=1S/C21H26ClN3O.ClH/c1-16-4-3-5-20(17(16)2)24-12-14-25(15-13-24)21(26)23-11-10-18-6-8-19(22)9-7-18;/h3-9H,10-15H2,1-2H3,(H,23,26);1H
InChIKeyHHTUCYCZFSXLBX-UHFFFAOYSA-N
MW408.37 g/mol
LogP4.45
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 108891987) has the molecular formula C21H27Cl2N3O and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID108891987
Molecular FormulaC21H27Cl2N3O
Molecular Weight408.37 g/mol
Exact Mass407.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)c1C.Cl
InChIInChI=1S/C21H26ClN3O.ClH/c1-16-4-3-5-20(17(16)2)24-12-14-25(15-13-24)21(26)23-11-10-18-6-8-19(22)9-7-18;/h3-9H,10-15H2,1-2H3,(H,23,26);1H
InChIKeyHHTUCYCZFSXLBX-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
4-(2,3-dimethylphenyl)-N-[(4-propylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108879621
4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 49487207
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
4-(3-chloro-2-methylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109448
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (CID 108891987) is N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)c1C.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is HHTUCYCZFSXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O.ClH/c1-16-4-3-5-20(17(16)2)24-12-14-25(15-13-24)21(26)23-11-10-18-6-8-19(22)9-7-18;/h3-9H,10-15H2,1-2H3,(H,23,26);1H.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 408.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108891987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).