[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone

C13H24N2O2 — CID 79384209

IUPAC[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
SMILESCOCC1CCN(C(=O)C2CCNC2C)CC1
InChIInChI=1S/C13H24N2O2/c1-10-12(3-6-14-10)13(16)15-7-4-11(5-8-15)9-17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyNJDYNYMBFILAEU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone

[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 79384209) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
PubChem CID79384209
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
SMILESCOCC1CCN(C(=O)C2CCNC2C)CC1
InChIInChI=1S/C13H24N2O2/c1-10-12(3-6-14-10)13(16)15-7-4-11(5-8-15)9-17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyNJDYNYMBFILAEU-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 79379397
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
[4-(methoxymethyl)piperidin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 63978051
(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone (CID 79384209) is [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone is COCC1CCN(C(=O)C2CCNC2C)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is NJDYNYMBFILAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-12(3-6-14-10)13(16)15-7-4-11(5-8-15)9-17-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone?
[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).