2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone

C13H22N2O2 — CID 63844591

IUPAC2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)C1CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(16)12-5-4-6-14(9-12)10-13(17)15-7-2-3-8-15/h12H,2-10H2,1H3
InChIKeyAWBOQSRCQULNQD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds3

About 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone

2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 63844591) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID63844591
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)C1CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(16)12-5-4-6-14(9-12)10-13(17)15-7-2-3-8-15/h12H,2-10H2,1H3
InChIKeyAWBOQSRCQULNQD-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate
CID 63853302
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (CID 63844591) is 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is CC(=O)C1CCCN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is AWBOQSRCQULNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(16)12-5-4-6-14(9-12)10-13(17)15-7-2-3-8-15/h12H,2-10H2,1H3.
What are the key properties of 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 238.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63844591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).