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

C21H26ClN3O — CID 113109947

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C21H26ClN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyMXAJHLPXZNWEHQ-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.03
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113109947) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113109947
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C21H26ClN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyMXAJHLPXZNWEHQ-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891987
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 138042782
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide (CID 113109947) is N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is MXAJHLPXZNWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.03, 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-(3,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).