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

C12H18N2O — CID 110769174

IUPAC1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc[nH]c2)C1
InChIInChI=1S/C12H18N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyCXONIKKQTSAFRK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds2

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

1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (PubChem CID 110769174) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
PubChem CID110769174
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc[nH]c2)C1
InChIInChI=1S/C12H18N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyCXONIKKQTSAFRK-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

1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
CID 82486332
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115276218

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (CID 110769174) is 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is CC1CCCN(C(=O)Cc2cc[nH]c2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The InChIKey is CXONIKKQTSAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
1-(3-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-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 110769174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).