4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide

C13H17Cl2N3O — CID 3323200

IUPAC4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-16-13(19)18-7-5-17(6-8-18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)
InChIKeyJJTNFLLCCSVCEP-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.84
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 3323200) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
PubChem CID3323200
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-16-13(19)18-7-5-17(6-8-18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)
InChIKeyJJTNFLLCCSVCEP-UHFFFAOYSA-N
XLogP2.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 138042782
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 96564120
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
butyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995979
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 60716823
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide (CID 3323200) is 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is JJTNFLLCCSVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-2-16-13(19)18-7-5-17(6-8-18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19).
What are the key properties of 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 3323200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).