1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

C12H18N2O — CID 110769091

IUPAC1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C12H18N2O/c1-10-3-6-14(7-4-10)12(15)8-11-2-5-13-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3
InChIKeyLJWCFBAITJRCHO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (PubChem CID 110769091) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
PubChem CID110769091
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C12H18N2O/c1-10-3-6-14(7-4-10)12(15)8-11-2-5-13-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3
InChIKeyLJWCFBAITJRCHO-UHFFFAOYSA-N
XLogP1.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115275046
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110814857
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110807200
1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110803186
1-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815070

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (CID 110769091) is 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is CC1CCN(C(=O)Cc2cc[nH]c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The InChIKey is LJWCFBAITJRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-6-14(7-4-10)12(15)8-11-2-5-13-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 110769091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).