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

C13H21N3O — CID 71641896

IUPAC2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)CC1CCCCN1
InChIInChI=1S/C13H21N3O/c1-16(9-11-5-2-3-7-14-11)10-13(17)12-6-4-8-15-12/h4,6,8,11,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyMWJGPLMNYYTRRC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.27
Rot. Bonds5

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

2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 71641896) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID71641896
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)CC1CCCCN1
InChIInChI=1S/C13H21N3O/c1-16(9-11-5-2-3-7-14-11)10-13(17)12-6-4-8-15-12/h4,6,8,11,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyMWJGPLMNYYTRRC-UHFFFAOYSA-N
XLogP1.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 71641896) is 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is CN(CC(=O)c1ccc[nH]1)CC1CCCCN1.
What is the InChIKey of 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is MWJGPLMNYYTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(9-11-5-2-3-7-14-11)10-13(17)12-6-4-8-15-12/h4,6,8,11,14-15H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 71641896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).