(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride

C17H24ClFN2O — CID 171709660

IUPAC(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cc(CC2CCN(C(=O)C3(N)CCC3)C2)ccc1F.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-12-9-13(3-4-15(12)18)10-14-5-8-20(11-14)16(21)17(19)6-2-7-17;/h3-4,9,14H,2,5-8,10-11,19H2,1H3;1H
InChIKeyYVOGZIKAUJQFJZ-UHFFFAOYSA-N
MW326.84 g/mol
LogP2.83
Rot. Bonds3

About (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 171709660) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID171709660
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cc(CC2CCN(C(=O)C3(N)CCC3)C2)ccc1F.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-12-9-13(3-4-15(12)18)10-14-5-8-20(11-14)16(21)17(19)6-2-7-17;/h3-4,9,14H,2,5-8,10-11,19H2,1H3;1H
InChIKeyYVOGZIKAUJQFJZ-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
1-[3-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 166623630
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317
1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 166624175
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166624279
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 170373442
1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 166616138
[1-(4-aminocyclohexyl)triazol-4-yl]-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618494

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride (CID 171709660) is (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride is Cc1cc(CC2CCN(C(=O)C3(N)CCC3)C2)ccc1F.Cl.
What is the InChIKey of (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is YVOGZIKAUJQFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.ClH/c1-12-9-13(3-4-15(12)18)10-14-5-8-20(11-14)16(21)17(19)6-2-7-17;/h3-4,9,14H,2,5-8,10-11,19H2,1H3;1H.
What are the key properties of (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 326.84 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 171709660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).