N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

C20H23Cl2N3O2 — CID 120739195

IUPACN-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-14(25)23-12-15-6-8-16(9-7-15)20(26)24-11-10-22-13-19(24)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-13H2,1H3,(H,23,25);1H
InChIKeyKEAIAIBNFGJFFK-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.18
Rot. Bonds4

About N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 120739195) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID120739195
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-14(25)23-12-15-6-8-16(9-7-15)20(26)24-11-10-22-13-19(24)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-13H2,1H3,(H,23,25);1H
InChIKeyKEAIAIBNFGJFFK-UHFFFAOYSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120738645
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (CID 120739195) is N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl.
What is the InChIKey of N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is KEAIAIBNFGJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-14(25)23-12-15-6-8-16(9-7-15)20(26)24-11-10-22-13-19(24)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-13H2,1H3,(H,23,25);1H.
What are the key properties of N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120739195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).