1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone

C13H20N2O — CID 18719868

IUPAC1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone
SMILESCc1cn(C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C13H20N2O/c1-11-8-14(2)9-12(11)13(16)10-15-6-4-3-5-7-15/h8-9H,3-7,10H2,1-2H3
InChIKeyWZCRPUMWEHQHCJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds3

About 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone

1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone (PubChem CID 18719868) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone
PubChem CID18719868
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone
SMILESCc1cn(C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C13H20N2O/c1-11-8-14(2)9-12(11)13(16)10-15-6-4-3-5-7-15/h8-9H,3-7,10H2,1-2H3
InChIKeyWZCRPUMWEHQHCJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone (CID 18719868) is 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone is Cc1cn(C)cc1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is WZCRPUMWEHQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-8-14(2)9-12(11)13(16)10-15-6-4-3-5-7-15/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone?
1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 220.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 18719868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).