(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

C18H25FN2O — CID 56868968

IUPAC(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CCC1
InChIInChI=1S/C18H25FN2O/c19-16-7-2-1-6-15(16)9-8-14-5-3-12-21(13-14)17(22)18(20)10-4-11-18/h1-2,6-7,14H,3-5,8-13,20H2
InChIKeyIWPOHSYLISQTKC-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.88
Rot. Bonds4

About (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 56868968) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID56868968
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CCC1
InChIInChI=1S/C18H25FN2O/c19-16-7-2-1-6-15(16)9-8-14-5-3-12-21(13-14)17(22)18(20)10-4-11-18/h1-2,6-7,14H,3-5,8-13,20H2
InChIKeyIWPOHSYLISQTKC-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 56868968) is (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is NC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is IWPOHSYLISQTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-2-1-6-15(16)9-8-14-5-3-12-21(13-14)17(22)18(20)10-4-11-18/h1-2,6-7,14H,3-5,8-13,20H2.
What are the key properties of (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 304.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56868968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).