3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride

C20H23Cl2N3O3 — CID 120803238

IUPAC3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H22ClN3O3.ClH/c21-16-5-1-3-14(11-16)18-13-23-8-9-24(18)19(25)7-10-27-17-6-2-4-15(12-17)20(22)26;/h1-6,11-12,18,23H,7-10,13H2,(H2,22,26);1H
InChIKeyBMCZMPGJRZLBCZ-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.80
Rot. Bonds6

About 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride

3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 120803238) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID120803238
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC Name3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H22ClN3O3.ClH/c21-16-5-1-3-14(11-16)18-13-23-8-9-24(18)19(25)7-10-27-17-6-2-4-15(12-17)20(22)26;/h1-6,11-12,18,23H,7-10,13H2,(H2,22,26);1H
InChIKeyBMCZMPGJRZLBCZ-UHFFFAOYSA-N
XLogP2.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 120736748
4-(3-acetylphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one
CID 120737240
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
[2-(3-chlorophenyl)piperazin-1-yl]-[4-(3-methoxypropoxy)phenyl]methanone;hydrochloride
CID 120802735
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (CID 120803238) is 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is Cl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is BMCZMPGJRZLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3.ClH/c21-16-5-1-3-14(11-16)18-13-23-8-9-24(18)19(25)7-10-27-17-6-2-4-15(12-17)20(22)26;/h1-6,11-12,18,23H,7-10,13H2,(H2,22,26);1H.
What are the key properties of 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 424.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 120803238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).