1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one

C12H22N2O3 — CID 106668830

IUPAC1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)N1CC(O)C(O)C1
InChIInChI=1S/C12H22N2O3/c15-10-7-14(8-11(10)16)12(17)5-4-9-3-1-2-6-13-9/h9-11,13,15-16H,1-8H2
InChIKeyKIXAWWAVYMBULC-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.53
Rot. Bonds3

About 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one

1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 106668830) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID106668830
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)N1CC(O)C(O)C1
InChIInChI=1S/C12H22N2O3/c15-10-7-14(8-11(10)16)12(17)5-4-9-3-1-2-6-13-9/h9-11,13,15-16H,1-8H2
InChIKeyKIXAWWAVYMBULC-UHFFFAOYSA-N
XLogP-0.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-piperidin-2-ylpropanoyl)azetidin-3-yl]acetic acid
CID 64605626
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
CID 114797531
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
3-(azepan-2-yl)propanoic acid
CID 69475849
3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
CID 115348003
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
2-(3-piperidin-2-ylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895671

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one (CID 106668830) is 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is KIXAWWAVYMBULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-10-7-14(8-11(10)16)12(17)5-4-9-3-1-2-6-13-9/h9-11,13,15-16H,1-8H2.
What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one?
1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 242.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 106668830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).