[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C18H29F3N2O — CID 45180678

IUPAC[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)CN1CCC(C2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C18H29F3N2O/c1-13(2)11-22-8-3-14(4-9-22)15-5-10-23(12-15)16(24)17(6-7-17)18(19,20)21/h13-15H,3-12H2,1-2H3
InChIKeyGFELWEVJQHTDEC-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.55
Rot. Bonds4

About [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 45180678) has the molecular formula C18H29F3N2O and a molecular weight of 346.44 g/mol. Its IUPAC name is [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID45180678
Molecular FormulaC18H29F3N2O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC Name[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)CN1CCC(C2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C18H29F3N2O/c1-13(2)11-22-8-3-14(4-9-22)15-5-10-23(12-15)16(24)17(6-7-17)18(19,20)21/h13-15H,3-12H2,1-2H3
InChIKeyGFELWEVJQHTDEC-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 45180678) is [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)CN1CCC(C2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1.
What is the InChIKey of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is GFELWEVJQHTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3N2O/c1-13(2)11-22-8-3-14(4-9-22)15-5-10-23(12-15)16(24)17(6-7-17)18(19,20)21/h13-15H,3-12H2,1-2H3.
What are the key properties of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 346.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 45180678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).