[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

C13H22N2O2 — CID 174348554

IUPAC[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@H](NC2CC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(12-4-2-8-17-12)15-7-1-3-11(9-15)14-10-5-6-10/h10-12,14H,1-9H2/t11-,12+/m1/s1
InChIKeyPSAKTZPNLHJBML-NEPJUHHUSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds3

About [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 174348554) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID174348554
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@H](NC2CC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(12-4-2-8-17-12)15-7-1-3-11(9-15)14-10-5-6-10/h10-12,14H,1-9H2/t11-,12+/m1/s1
InChIKeyPSAKTZPNLHJBML-NEPJUHHUSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
1-[3-(cyclopropylamino)piperidin-1-yl]ethanone
CID 66569302
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103855486
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 174348554) is [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCC[C@@H](NC2CC2)C1.
What is the InChIKey of [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is PSAKTZPNLHJBML-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(12-4-2-8-17-12)15-7-1-3-11(9-15)14-10-5-6-10/h10-12,14H,1-9H2/t11-,12+/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 174348554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).