1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one

C15H25N3O — CID 115270824

IUPAC1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
SMILESCNCC1(C)CCCCN1C(=O)CCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-15(12-16-2)8-3-4-10-18(15)14(19)6-5-13-7-9-17-11-13/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3
InChIKeyIAIUGPQZJJKBNI-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one

1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one (PubChem CID 115270824) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
PubChem CID115270824
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
SMILESCNCC1(C)CCCCN1C(=O)CCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-15(12-16-2)8-3-4-10-18(15)14(19)6-5-13-7-9-17-11-13/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3
InChIKeyIAIUGPQZJJKBNI-UHFFFAOYSA-N
XLogP1.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 115270635
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115275807
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 115270809
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine
CID 115270621
(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115270641
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 95808703

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one (CID 115270824) is 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one is CNCC1(C)CCCCN1C(=O)CCc1cc[nH]c1.
What is the InChIKey of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one?
The InChIKey is IAIUGPQZJJKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(12-16-2)8-3-4-10-18(15)14(19)6-5-13-7-9-17-11-13/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3.
What are the key properties of 1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one?
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 1.94, 5 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]-3-(1H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 115270824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).