1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one

C19H27FN2O2 — CID 75502753

IUPAC1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(NC2CC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-11-8-19(23)22-9-6-17(7-10-22)21-18-12-15(13-18)14-2-4-16(20)5-3-14/h2-5,15,17-18,21H,6-13H2,1H3
InChIKeyONVIUDMQKSXHQL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.69
Rot. Bonds6

About 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 75502753) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID75502753
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(NC2CC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-11-8-19(23)22-9-6-17(7-10-22)21-18-12-15(13-18)14-2-4-16(20)5-3-14/h2-5,15,17-18,21H,6-13H2,1H3
InChIKeyONVIUDMQKSXHQL-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one (CID 75502753) is 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(NC2CC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is ONVIUDMQKSXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-11-8-19(23)22-9-6-17(7-10-22)21-18-12-15(13-18)14-2-4-16(20)5-3-14/h2-5,15,17-18,21H,6-13H2,1H3.
What are the key properties of 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 334.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 75502753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).