2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone

C14H29N3O — CID 79652067

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(C)CC(C)(C)CN)CC1
InChIInChI=1S/C14H29N3O/c1-12-5-7-17(8-6-12)13(18)9-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3
InChIKeyCZYOWIGJTLMVKL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.16
Rot. Bonds5

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 79652067) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID79652067
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(C)CC(C)(C)CN)CC1
InChIInChI=1S/C14H29N3O/c1-12-5-7-17(8-6-12)13(18)9-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3
InChIKeyCZYOWIGJTLMVKL-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 79004856
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone (CID 79652067) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(C)CC(C)(C)CN)CC1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is CZYOWIGJTLMVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12-5-7-17(8-6-12)13(18)9-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 255.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).