1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

C13H18N2O3 — CID 54878244

IUPAC1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-9(17)11-6-12(14-7-11)13(18)15-4-2-10(8-16)3-5-15/h6-7,10,14,16H,2-5,8H2,1H3
InChIKeyRBRYKZLHYDCCOD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds3

About 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone (PubChem CID 54878244) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
PubChem CID54878244
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-9(17)11-6-12(14-7-11)13(18)15-4-2-10(8-16)3-5-15/h6-7,10,14,16H,2-5,8H2,1H3
InChIKeyRBRYKZLHYDCCOD-UHFFFAOYSA-N
XLogP1.06
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone (CID 54878244) is 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone is CC(=O)c1c[nH]c(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The InChIKey is RBRYKZLHYDCCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(17)11-6-12(14-7-11)13(18)15-4-2-10(8-16)3-5-15/h6-7,10,14,16H,2-5,8H2,1H3.
What are the key properties of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 54878244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).