[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C19H19F2N3O — CID 120731899

IUPAC[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccc(F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19F2N3O/c20-16-4-3-12(8-17(16)21)14-9-15(14)19(25)24-7-6-23-11-18(24)13-2-1-5-22-10-13/h1-5,8,10,14-15,18,23H,6-7,9,11H2
InChIKeyLMOBACRGMUSXSK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.64
Rot. Bonds3

About [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731899) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731899
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccc(F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19F2N3O/c20-16-4-3-12(8-17(16)21)14-9-15(14)19(25)24-7-6-23-11-18(24)13-2-1-5-22-10-13/h1-5,8,10,14-15,18,23H,6-7,9,11H2
InChIKeyLMOBACRGMUSXSK-UHFFFAOYSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729008
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
[2-[2-(difluoromethoxy)phenyl]cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730891
(2-pyridin-3-ylpiperazin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 120730359
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731899) is [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(C1CC1c1ccc(F)c(F)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is LMOBACRGMUSXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-16-4-3-12(8-17(16)21)14-9-15(14)19(25)24-7-6-23-11-18(24)13-2-1-5-22-10-13/h1-5,8,10,14-15,18,23H,6-7,9,11H2.
What are the key properties of [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).