2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one

C12H23NO2 — CID 102960462

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H23NO2/c1-5-11(14)10(3)13-7-6-9(2)12(8-13)15-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFNGKDRIWILLSCV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one

2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one (PubChem CID 102960462) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
PubChem CID102960462
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H23NO2/c1-5-11(14)10(3)13-7-6-9(2)12(8-13)15-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFNGKDRIWILLSCV-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-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

2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 102967967
3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 102968014
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 102968987
2-bromo-1-(3-methoxy-4-methylpiperidin-1-yl)butan-1-one
CID 102956862
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one (CID 102960462) is 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one is CCC(=O)C(C)N1CCC(C)C(OC)C1.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one?
The InChIKey is FNGKDRIWILLSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-11(14)10(3)13-7-6-9(2)12(8-13)15-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one?
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one is sourced from PubChem (CID 102960462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).