4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

C20H25ClN4O — CID 138042782

IUPAC4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NCCc3ccncc3)CC2)cc1Cl
InChIInChI=1S/C20H25ClN4O/c1-2-17-3-4-18(15-19(17)21)24-11-13-25(14-12-24)20(26)23-10-7-16-5-8-22-9-6-16/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26)
InChIKeySYIZBSTVDXOQDD-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.37
Rot. Bonds5

About 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 138042782) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
PubChem CID138042782
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NCCc3ccncc3)CC2)cc1Cl
InChIInChI=1S/C20H25ClN4O/c1-2-17-3-4-18(15-19(17)21)24-11-13-25(14-12-24)20(26)23-10-7-16-5-8-22-9-6-16/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26)
InChIKeySYIZBSTVDXOQDD-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60595878
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 48637215
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 119061910
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (CID 138042782) is 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is CCc1ccc(N2CCN(C(=O)NCCc3ccncc3)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is SYIZBSTVDXOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-2-17-3-4-18(15-19(17)21)24-11-13-25(14-12-24)20(26)23-10-7-16-5-8-22-9-6-16/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26).
What are the key properties of 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 138042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).