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

C16H21ClFN3O2 — CID 120736265

IUPAC5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CN1
InChIInChI=1S/C16H20FN3O2.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
InChIKeyOPWNUPYWZJHHTQ-UHFFFAOYSA-N
MW341.81 g/mol
LogP1.25
Rot. Bonds2

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

5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (PubChem CID 120736265) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
PubChem CID120736265
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CN1
InChIInChI=1S/C16H20FN3O2.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
InChIKeyOPWNUPYWZJHHTQ-UHFFFAOYSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120736663
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The IUPAC name of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (CID 120736265) is 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is Cl.O=C1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CN1.
What is the InChIKey of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The InChIKey is OPWNUPYWZJHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.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-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 120736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).