1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone

C13H24N2O2 — CID 107392439

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCOC1(C)CCCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(17-2)5-3-7-15(10-13)12(16)8-11-4-6-14-9-11/h11,14H,3-10H2,1-2H3
InChIKeyPKYMVIZYCLRZOO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone

1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 107392439) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
PubChem CID107392439
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCOC1(C)CCCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(17-2)5-3-7-15(10-13)12(16)8-11-4-6-14-9-11/h11,14H,3-10H2,1-2H3
InChIKeyPKYMVIZYCLRZOO-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786
1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 116991691
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 103533035
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996
1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 107392678
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634230

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone (CID 107392439) is 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone is COC1(C)CCCN(C(=O)CC2CCNC2)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is PKYMVIZYCLRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(17-2)5-3-7-15(10-13)12(16)8-11-4-6-14-9-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone?
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 107392439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).