(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

C16H26F3N3O — CID 136522708

IUPAC(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(F)(F)F)CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H26F3N3O/c17-16(18,19)12-20-8-3-13(4-9-20)15(23)22-10-5-14(11-22)21-6-1-2-7-21/h13-14H,1-12H2
InChIKeyYPBWFDUQPREJTC-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.96
Rot. Bonds3

About (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 136522708) has the molecular formula C16H26F3N3O and a molecular weight of 333.40 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID136522708
Molecular FormulaC16H26F3N3O
Molecular Weight333.40 g/mol
Exact Mass333.20
IUPAC Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(F)(F)F)CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H26F3N3O/c17-16(18,19)12-20-8-3-13(4-9-20)15(23)22-10-5-14(11-22)21-6-1-2-7-21/h13-14H,1-12H2
InChIKeyYPBWFDUQPREJTC-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 136522708) is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is O=C(C1CCN(CC(F)(F)F)CC1)N1CCC(N2CCCC2)C1.
What is the InChIKey of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is YPBWFDUQPREJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O/c17-16(18,19)12-20-8-3-13(4-9-20)15(23)22-10-5-14(11-22)21-6-1-2-7-21/h13-14H,1-12H2.
What are the key properties of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 333.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 136522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).