1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone

C14H23N3O — CID 115270809

IUPAC1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
SMILESCNCC1(C)CCCCN1C(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-14(11-15-2)7-3-4-9-17(14)13(18)10-12-6-5-8-16-12/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3
InChIKeyBEJNSXJGYNUALJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone

1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 115270809) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
PubChem CID115270809
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
SMILESCNCC1(C)CCCCN1C(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-14(11-15-2)7-3-4-9-17(14)13(18)10-12-6-5-8-16-12/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3
InChIKeyBEJNSXJGYNUALJ-UHFFFAOYSA-N
XLogP1.55
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 115270635
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
2-(1H-pyrrol-2-yl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazin-1-yl]ethanone
CID 110815927
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
methyl 4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carboxylate
CID 110803431
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115276524
1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115276479

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone (CID 115270809) is 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone is CNCC1(C)CCCCN1C(=O)Cc1ccc[nH]1.
What is the InChIKey of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is BEJNSXJGYNUALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(11-15-2)7-3-4-9-17(14)13(18)10-12-6-5-8-16-12/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone?
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115270809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).