cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone

C20H26FN3O2 — CID 120738005

IUPACcyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C20H26FN3O2/c21-17-5-1-3-15(11-17)18-12-22-8-10-24(18)20(26)16-4-2-9-23(13-16)19(25)14-6-7-14/h1,3,5,11,14,16,18,22H,2,4,6-10,12-13H2
InChIKeyVNIMTWVOFHGGGR-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.95
Rot. Bonds3

About cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 120738005) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID120738005
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Namecyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C20H26FN3O2/c21-17-5-1-3-15(11-17)18-12-22-8-10-24(18)20(26)16-4-2-9-23(13-16)19(25)14-6-7-14/h1,3,5,11,14,16,18,22H,2,4,6-10,12-13H2
InChIKeyVNIMTWVOFHGGGR-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120737862
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120735563
[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]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
(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]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone (CID 120738005) is cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1.
What is the InChIKey of cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is VNIMTWVOFHGGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-17-5-1-3-15(11-17)18-12-22-8-10-24(18)20(26)16-4-2-9-23(13-16)19(25)14-6-7-14/h1,3,5,11,14,16,18,22H,2,4,6-10,12-13H2.
What are the key properties of cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 120738005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).