5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one

C15H29NO — CID 116611228

IUPAC5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
SMILESCCC(CC)CC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H29NO/c1-5-12(6-2)10-14(17)15(3,4)13-8-7-9-16-11-13/h12-13,16H,5-11H2,1-4H3
InChIKeySDFFQWMHSVVOAD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.41
Rot. Bonds6

About 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one

5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one (PubChem CID 116611228) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
PubChem CID116611228
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
SMILESCCC(CC)CC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H29NO/c1-5-12(6-2)10-14(17)15(3,4)13-8-7-9-16-11-13/h12-13,16H,5-11H2,1-4H3
InChIKeySDFFQWMHSVVOAD-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
4-methyl-1-methylsulfonyl-4-piperidin-3-ylpentan-3-one
CID 116611269
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
CID 83200067
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-2-piperidin-3-yl-N-(2-piperidin-1-ylpropyl)propanamide
CID 83198343
N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
CID 112659398
2-piperidin-3-ylbutan-2-ol
CID 63586087

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one?
The IUPAC name of 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one (CID 116611228) is 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one?
The canonical SMILES for 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one is CCC(CC)CC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one?
The InChIKey is SDFFQWMHSVVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-12(6-2)10-14(17)15(3,4)13-8-7-9-16-11-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one?
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one is sourced from PubChem (CID 116611228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).