4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride

C16H24ClN3O3 — CID 120569945

IUPAC4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
SMILESCC1NCCN(C(=O)CCOc2ccc(C(N)=O)cc2)C1C.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11-12(2)19(9-8-18-11)15(20)7-10-22-14-5-3-13(4-6-14)16(17)21;/h3-6,11-12,18H,7-10H2,1-2H3,(H2,17,21);1H
InChIKeySPBYRDNAMJLVJE-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.18
Rot. Bonds5

About 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride

4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 120569945) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
PubChem CID120569945
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
SMILESCC1NCCN(C(=O)CCOc2ccc(C(N)=O)cc2)C1C.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11-12(2)19(9-8-18-11)15(20)7-10-22-14-5-3-13(4-6-14)16(17)21;/h3-6,11-12,18H,7-10H2,1-2H3,(H2,17,21);1H
InChIKeySPBYRDNAMJLVJE-UHFFFAOYSA-N
XLogP1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
CID 119471304
1-(2,3-dimethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120569587
1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 120569760
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120571561
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119435674
4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119649902
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
4-(2-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572545
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 124699526
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride (CID 120569945) is 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride is CC1NCCN(C(=O)CCOc2ccc(C(N)=O)cc2)C1C.Cl.
What is the InChIKey of 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is SPBYRDNAMJLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-11-12(2)19(9-8-18-11)15(20)7-10-22-14-5-3-13(4-6-14)16(17)21;/h3-6,11-12,18H,7-10H2,1-2H3,(H2,17,21);1H.
What are the key properties of 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride?
4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 120569945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).