5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride

C16H21Cl2N3O2 — CID 120802103

IUPAC5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C(=O)N2CCNCC2c2cccc(Cl)c2)CN1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-13-3-1-2-11(8-13)14-10-18-6-7-20(14)16(22)12-4-5-15(21)19-9-12;/h1-3,8,12,14,18H,4-7,9-10H2,(H,19,21);1H
InChIKeyYZBIJGGKILTPDV-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.76
Rot. Bonds2

About 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (PubChem CID 120802103) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
PubChem CID120802103
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C(=O)N2CCNCC2c2cccc(Cl)c2)CN1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-13-3-1-2-11(8-13)14-10-18-6-7-20(14)16(22)12-4-5-15(21)19-9-12;/h1-3,8,12,14,18H,4-7,9-10H2,(H,19,21);1H
InChIKeyYZBIJGGKILTPDV-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (CID 120802103) is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is Cl.O=C1CCC(C(=O)N2CCNCC2c2cccc(Cl)c2)CN1.
What is the InChIKey of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The InChIKey is YZBIJGGKILTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c17-13-3-1-2-11(8-13)14-10-18-6-7-20(14)16(22)12-4-5-15(21)19-9-12;/h1-3,8,12,14,18H,4-7,9-10H2,(H,19,21);1H.
What are the key properties of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 120802103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).