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

C14H26N2O — CID 60978651

IUPAC1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O/c1-2-3-8-14(17)16-10-5-7-13(16)12-6-4-9-15-11-12/h12-13,15H,2-11H2,1H3
InChIKeyPXBBZEKFMOUTKX-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

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

1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 60978651) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID60978651
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O/c1-2-3-8-14(17)16-10-5-7-13(16)12-6-4-9-15-11-12/h12-13,15H,2-11H2,1H3
InChIKeyPXBBZEKFMOUTKX-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)hexan-1-one
CID 102679446
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
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
1-(2-cyclohexylpyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 62675266
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propoxyethanone
CID 107940234
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-oxo-N-propylhexanamide
CID 66794351
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide
CID 66794239
N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide
CID 66272366
1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110124474

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one (CID 60978651) is 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one is CCCCC(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is PXBBZEKFMOUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-8-14(17)16-10-5-7-13(16)12-6-4-9-15-11-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one?
1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 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)pentan-1-one is sourced from PubChem (CID 60978651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).