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

C17H21FN2O — CID 71936510

IUPAC(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21FN2O/c18-13-3-1-2-12(10-13)15-11-16(15)17(21)20-8-6-19(7-9-20)14-4-5-14/h1-3,10,14-16H,4-9,11H2
InChIKeyWJHBGBPUIJXHOJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.24
Rot. Bonds3

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

(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone (PubChem CID 71936510) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
PubChem CID71936510
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21FN2O/c18-13-3-1-2-12(10-13)15-11-16(15)17(21)20-8-6-19(7-9-20)14-4-5-14/h1-3,10,14-16H,4-9,11H2
InChIKeyWJHBGBPUIJXHOJ-UHFFFAOYSA-N
XLogP2.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 95180005
[2-(3-fluorophenyl)cyclopropyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862023
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
CID 151018806
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337801
[2-(3-fluorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023626
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]methanone
CID 97077260
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609165
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone (CID 71936510) is (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone is O=C(C1CC1c1cccc(F)c1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone?
The InChIKey is WJHBGBPUIJXHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-13-3-1-2-12(10-13)15-11-16(15)17(21)20-8-6-19(7-9-20)14-4-5-14/h1-3,10,14-16H,4-9,11H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone has a molecular weight of 288.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 71936510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).