2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C13H20N2O — CID 43227667

IUPAC2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccn(C)c2)C1
InChIInChI=1S/C13H20N2O/c1-11-4-3-6-15(8-11)10-13(16)12-5-7-14(2)9-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyYRRLSNUZRUWCEC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 43227667) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID43227667
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccn(C)c2)C1
InChIInChI=1S/C13H20N2O/c1-11-4-3-6-15(8-11)10-13(16)12-5-7-14(2)9-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyYRRLSNUZRUWCEC-UHFFFAOYSA-N
XLogP1.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 63151032
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 79187889
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
CID 43227706
1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053398
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 43227667) is 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is CC1CCCN(CC(=O)c2ccn(C)c2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is YRRLSNUZRUWCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-3-6-15(8-11)10-13(16)12-5-7-14(2)9-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43227667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).