1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone

C12H22N2O — CID 71018522

IUPAC1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone
SMILESCN1CCC(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-13-8-4-11(5-9-13)12(15)10-14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyYDIXURXKBPPPGD-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone

1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 71018522) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone
PubChem CID71018522
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone
SMILESCN1CCC(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-13-8-4-11(5-9-13)12(15)10-14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyYDIXURXKBPPPGD-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone (CID 71018522) is 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone is CN1CCC(C(=O)CN2CCCC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is YDIXURXKBPPPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-8-4-11(5-9-13)12(15)10-14-6-2-3-7-14/h11H,2-10H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone?
1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71018522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).