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

C16H24N2O2 — CID 3570670

IUPAC1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-9-6-10(2)8-18(7-9)16(20)15-11(3)14(13(5)19)12(4)17-15/h9-10,17H,6-8H2,1-5H3
InChIKeyPQNURCVQFCKIBH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds2

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

1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 3570670) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID3570670
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-9-6-10(2)8-18(7-9)16(20)15-11(3)14(13(5)19)12(4)17-15/h9-10,17H,6-8H2,1-5H3
InChIKeyPQNURCVQFCKIBH-UHFFFAOYSA-N
XLogP2.95
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 3570670) is 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is PQNURCVQFCKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-6-10(2)8-18(7-9)16(20)15-11(3)14(13(5)19)12(4)17-15/h9-10,17H,6-8H2,1-5H3.
What are the key properties of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 3570670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).