1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one

C12H24N2O — CID 83989767

IUPAC1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CC)CC(NC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-12(15)14-8-10(5-2)7-11(9-14)13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyGLCVFECEVDUDEI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one

1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 83989767) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID83989767
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CC)CC(NC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-12(15)14-8-10(5-2)7-11(9-14)13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyGLCVFECEVDUDEI-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989799
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one (CID 83989767) is 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(CC)CC(NC)C1.
What is the InChIKey of 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is GLCVFECEVDUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-12(15)14-8-10(5-2)7-11(9-14)13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83989767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).