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

C12H22N2O — CID 39903910

IUPAC2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-4-8-13(9-5-11)10-12(15)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyLXHSYUBITPRUOW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds2

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

2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 39903910) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID39903910
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-4-8-13(9-5-11)10-12(15)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyLXHSYUBITPRUOW-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 142372781
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (CID 39903910) is 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is CC1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is LXHSYUBITPRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-4-8-13(9-5-11)10-12(15)14-6-2-3-7-14/h11H,2-10H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39903910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).