(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride

C16H21ClF2N2O — CID 171712189

IUPAC(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3cc(F)cc(F)c3)C2)CCC1
InChIInChI=1S/C16H20F2N2O.ClH/c17-13-7-12(8-14(18)9-13)6-11-2-5-20(10-11)15(21)16(19)3-1-4-16;/h7-9,11H,1-6,10,19H2;1H
InChIKeyBDDSDQAVLOASRA-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.66
Rot. Bonds3

About (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 171712189) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID171712189
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3cc(F)cc(F)c3)C2)CCC1
InChIInChI=1S/C16H20F2N2O.ClH/c17-13-7-12(8-14(18)9-13)6-11-2-5-20(10-11)15(21)16(19)3-1-4-16;/h7-9,11H,1-6,10,19H2;1H
InChIKeyBDDSDQAVLOASRA-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-(4-hydroxy-1-methylpiperidin-4-yl)methanone;formic acid
CID 171709578
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317
1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 166623282
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride
CID 171712146
acetic acid;4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]-N-(oxan-4-yl)benzamide
CID 171712512
2-[3-(2-aminoethoxy)phenyl]-1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 171712197
1-[2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120691973

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride (CID 171712189) is (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(Cc3cc(F)cc(F)c3)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is BDDSDQAVLOASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c17-13-7-12(8-14(18)9-13)6-11-2-5-20(10-11)15(21)16(19)3-1-4-16;/h7-9,11H,1-6,10,19H2;1H.
What are the key properties of (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 171712189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).