1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

C15H29N3O — CID 81490562

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCCN1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C15H29N3O/c1-12-6-4-7-13(2)18(12)15(19)11-17-9-5-8-14(17)10-16-3/h12-14,16H,4-11H2,1-3H3
InChIKeyAPSXVGRROCISOO-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 81490562) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID81490562
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCCN1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C15H29N3O/c1-12-6-4-7-13(2)18(12)15(19)11-17-9-5-8-14(17)10-16-3/h12-14,16H,4-11H2,1-3H3
InChIKeyAPSXVGRROCISOO-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-[2-methyl-6-(methylaminomethyl)piperidin-1-yl]ethanone
CID 166977860
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 124867040
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62654051
5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one
CID 113285347
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 63250205
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (CID 81490562) is 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is CNCC1CCCN1CC(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is APSXVGRROCISOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-6-4-7-13(2)18(12)15(19)11-17-9-5-8-14(17)10-16-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 81490562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).