1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone

C19H28F2N2O2 — CID 167818478

IUPAC1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(CC1CC(F)(F)C1)N1CCC(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H28F2N2O2/c20-19(21)10-13(11-19)9-17(24)23-8-5-16(12-23)14-3-6-22(7-4-14)18(25)15-1-2-15/h13-16H,1-12H2
InChIKeyJTALIDRJFFKHLJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.92
Rot. Bonds4

About 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone

1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone (PubChem CID 167818478) has the molecular formula C19H28F2N2O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone
PubChem CID167818478
Molecular FormulaC19H28F2N2O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Name1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(CC1CC(F)(F)C1)N1CCC(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H28F2N2O2/c20-19(21)10-13(11-19)9-17(24)23-8-5-16(12-23)14-3-6-22(7-4-14)18(25)15-1-2-15/h13-16H,1-12H2
InChIKeyJTALIDRJFFKHLJ-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone (CID 167818478) is 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone is O=C(CC1CC(F)(F)C1)N1CCC(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone?
The InChIKey is JTALIDRJFFKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O2/c20-19(21)10-13(11-19)9-17(24)23-8-5-16(12-23)14-3-6-22(7-4-14)18(25)15-1-2-15/h13-16H,1-12H2.
What are the key properties of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone?
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone has a molecular weight of 354.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 167818478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).