1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride

C18H25Cl2N3O2 — CID 120739391

IUPAC1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1.Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c1-13(23)21-9-4-5-14(12-21)18(24)22-10-8-20-11-17(22)15-6-2-3-7-16(15)19;/h2-3,6-7,14,17,20H,4-5,8-12H2,1H3;1H
InChIKeyALUSDGWTHMUBSB-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.49
Rot. Bonds2

About 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride

1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 120739391) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
PubChem CID120739391
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1.Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c1-13(23)21-9-4-5-14(12-21)18(24)22-10-8-20-11-17(22)15-6-2-3-7-16(15)19;/h2-3,6-7,14,17,20H,4-5,8-12H2,1H3;1H
InChIKeyALUSDGWTHMUBSB-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 136578562
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride (CID 120739391) is 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1.Cl.
What is the InChIKey of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is ALUSDGWTHMUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2.ClH/c1-13(23)21-9-4-5-14(12-21)18(24)22-10-8-20-11-17(22)15-6-2-3-7-16(15)19;/h2-3,6-7,14,17,20H,4-5,8-12H2,1H3;1H.
What are the key properties of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120739391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).