1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one

C13H26N2O — CID 60516885

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-6-14(5)12(4)13(16)15-8-10(2)7-11(3)9-15/h10-12H,6-9H2,1-5H3
InChIKeyJZNMVZPVZKJSDJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one (PubChem CID 60516885) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
PubChem CID60516885
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-6-14(5)12(4)13(16)15-8-10(2)7-11(3)9-15/h10-12H,6-9H2,1-5H3
InChIKeyJZNMVZPVZKJSDJ-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049698
2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 112799921
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
CID 7393137
N-(2,6-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 51167321
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
1-(3,5-dimethylpiperidin-1-yl)-2,2-difluoroethanone
CID 103600565
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592720
2-[[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-4aH-quinazolin-4-one
CID 73391221

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one (CID 60516885) is 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one is CCN(C)C(C)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one?
The InChIKey is JZNMVZPVZKJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-14(5)12(4)13(16)15-8-10(2)7-11(3)9-15/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 60516885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).