(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

C14H23F2N3O — CID 123454659

IUPAC(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)C1)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H23F2N3O/c15-14(16)5-9-18(10-14)13(20)19-8-1-2-12(19)11-3-6-17-7-4-11/h11-12,17H,1-10H2
InChIKeyLZIYKQXKXLIRRM-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.91
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 123454659) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID123454659
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)C1)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H23F2N3O/c15-14(16)5-9-18(10-14)13(20)19-8-1-2-12(19)11-3-6-17-7-4-11/h11-12,17H,1-10H2
InChIKeyLZIYKQXKXLIRRM-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4S)-N-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 155565371
(1S,4S)-N-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 127021228
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116012910
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 118303133
(3,3-Difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 118303166
N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
CID 123349275
[2-[1-(6-Azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 123692538
N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 123919640
(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 124192462
(3,3-difluoropyrrolidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124192465
(2S)-N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 124192494

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (CID 123454659) is (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is O=C(N1CCC(F)(F)C1)N1CCCC1C1CCNCC1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is LZIYKQXKXLIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c15-14(16)5-9-18(10-14)13(20)19-8-1-2-12(19)11-3-6-17-7-4-11/h11-12,17H,1-10H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 287.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 123454659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).