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

C19H20FN3O — CID 120730770

IUPAC[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20FN3O/c20-15-5-3-13(4-6-15)16-10-17(16)19(24)23-9-8-22-12-18(23)14-2-1-7-21-11-14/h1-7,11,16-18,22H,8-10,12H2
InChIKeyKVFAFOBLYLAUFI-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.50
Rot. Bonds3

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

[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120730770) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120730770
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20FN3O/c20-15-5-3-13(4-6-15)16-10-17(16)19(24)23-9-8-22-12-18(23)14-2-1-7-21-11-14/h1-7,11,16-18,22H,8-10,12H2
InChIKeyKVFAFOBLYLAUFI-UHFFFAOYSA-N
XLogP2.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
(2-pyridin-3-ylpiperazin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 120730359
[2-[2-(difluoromethoxy)phenyl]cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730891
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729008
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420
3-(4-fluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732515
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120730770) is [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(C1CC1c1ccc(F)cc1)N1CCNCC1c1cccnc1.
What is the InChIKey of [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is KVFAFOBLYLAUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-5-3-13(4-6-15)16-10-17(16)19(24)23-9-8-22-12-18(23)14-2-1-7-21-11-14/h1-7,11,16-18,22H,8-10,12H2.
What are the key properties of [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120730770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).