1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one

C12H22N2O — CID 60979351

IUPAC1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H22N2O/c1-2-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3
InChIKeyYTFCHLFUDSYVDY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one

1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 60979351) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
PubChem CID60979351
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H22N2O/c1-2-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3
InChIKeyYTFCHLFUDSYVDY-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 60978651
3-methoxy-3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)butan-1-one
CID 103019654
2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60978516
1-(2-cyclohexylpyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 62675266
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 54885653
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)hexan-1-one
CID 102679446
(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 107675736
N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680559
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one (CID 60979351) is 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one is CCC(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is YTFCHLFUDSYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 60979351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).