1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C15H22N2O2 — CID 5147247

IUPAC1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C15H22N2O2/c1-9-6-5-7-17(8-9)15(19)14-10(2)13(12(4)18)11(3)16-14/h9,16H,5-8H2,1-4H3
InChIKeyRWKBXNRZLXUEDG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.71
Rot. Bonds2

About 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 5147247) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID5147247
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C15H22N2O2/c1-9-6-5-7-17(8-9)15(19)14-10(2)13(12(4)18)11(3)16-14/h9,16H,5-8H2,1-4H3
InChIKeyRWKBXNRZLXUEDG-UHFFFAOYSA-N
XLogP2.71
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 5147247) is 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCCC(C)C2)c1C.
What is the InChIKey of 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is RWKBXNRZLXUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-6-5-7-17(8-9)15(19)14-10(2)13(12(4)18)11(3)16-14/h9,16H,5-8H2,1-4H3.
What are the key properties of 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 5147247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).