(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone

C13H24N2O2 — CID 102957446

IUPAC(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
SMILESCOC1CN(C(=O)C2CCCCN2)CCC1C
InChIInChI=1S/C13H24N2O2/c1-10-6-8-15(9-12(10)17-2)13(16)11-5-3-4-7-14-11/h10-12,14H,3-9H2,1-2H3
InChIKeyNLHKDRAOSPJBHA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds2

About (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone

(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 102957446) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
PubChem CID102957446
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
SMILESCOC1CN(C(=O)C2CCCCN2)CCC1C
InChIInChI=1S/C13H24N2O2/c1-10-6-8-15(9-12(10)17-2)13(16)11-5-3-4-7-14-11/h10-12,14H,3-9H2,1-2H3
InChIKeyNLHKDRAOSPJBHA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone (CID 102957446) is (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone is COC1CN(C(=O)C2CCCCN2)CCC1C.
What is the InChIKey of (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is NLHKDRAOSPJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-6-8-15(9-12(10)17-2)13(16)11-5-3-4-7-14-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone?
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 102957446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).