4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide

C22H26ClN3O2 — CID 120738630

IUPAC4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-11-17(12-10-16)22(28)26-14-13-24-15-20(26)18-7-5-6-8-19(18)23/h5-12,20,24H,3-4,13-15H2,1-2H3
InChIKeyPCQXDPOQZZYDMZ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.61
Rot. Bonds5

About 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide

4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide (PubChem CID 120738630) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
PubChem CID120738630
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-11-17(12-10-16)22(28)26-14-13-24-15-20(26)18-7-5-6-8-19(18)23/h5-12,20,24H,3-4,13-15H2,1-2H3
InChIKeyPCQXDPOQZZYDMZ-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120738645
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide (CID 120738630) is 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide?
The InChIKey is PCQXDPOQZZYDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-11-17(12-10-16)22(28)26-14-13-24-15-20(26)18-7-5-6-8-19(18)23/h5-12,20,24H,3-4,13-15H2,1-2H3.
What are the key properties of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide?
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide is sourced from PubChem (CID 120738630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).