[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone

C13H24N2O2 — CID 64598501

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCOCC1CCN(C(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(5-3-6-14-10-13)12(16)15-7-4-11(8-15)9-17-2/h11,14H,3-10H2,1-2H3
InChIKeySZJNXQSFOCTGDQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone (PubChem CID 64598501) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
PubChem CID64598501
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCOCC1CCN(C(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(5-3-6-14-10-13)12(16)15-7-4-11(8-15)9-17-2/h11,14H,3-10H2,1-2H3
InChIKeySZJNXQSFOCTGDQ-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

[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63131212
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 115747498
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
(2-methylmorpholin-4-yl)-(3-methylpiperidin-3-yl)methanone;hydrochloride
CID 119944078
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone (CID 64598501) is [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone is COCC1CCN(C(=O)C2(C)CCCNC2)C1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The InChIKey is SZJNXQSFOCTGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(5-3-6-14-10-13)12(16)15-7-4-11(8-15)9-17-2/h11,14H,3-10H2,1-2H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-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 [3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 64598501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).