2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O2 — CID 66246383

IUPAC2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(O[C@H]1CCCNC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)14-7-2-3-8-14)16-11-5-4-6-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyKVTJZARWEFINSA-DTIOYNMSSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 66246383) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID66246383
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(O[C@H]1CCCNC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)14-7-2-3-8-14)16-11-5-4-6-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyKVTJZARWEFINSA-DTIOYNMSSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
N-butan-2-yl-2-piperidin-3-yloxypropanamide
CID 43117602
N-(methylcarbamoyl)-2-[(3S)-piperidin-3-yl]oxypropanamide
CID 106938610
2-[(3S)-piperidin-3-yl]oxy-N-propylpropanamide
CID 66245011
piperidin-3-yl 2-methylpropanoate
CID 53409773
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
2-(2-aminocyclohexyl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 113395322
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
N-(2-methylbutan-2-yl)-2-piperidin-3-yloxypropanamide
CID 43117590
2-pyrrolidin-3-yloxypropanamide
CID 62327738

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (CID 66246383) is 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is CC(O[C@H]1CCCNC1)C(=O)N1CCCC1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KVTJZARWEFINSA-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(12(15)14-7-2-3-8-14)16-11-5-4-6-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 66246383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).