1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone

C10H19NO2 — CID 115871790

IUPAC1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(6-9(8)2)10(12)7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyHPTWHLNPNDSOKA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds2

About 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone

1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone (PubChem CID 115871790) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
PubChem CID115871790
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(6-9(8)2)10(12)7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyHPTWHLNPNDSOKA-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone 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-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
1-(3-amino-4-ethylpiperidin-1-yl)-2-methoxyethanone
CID 165440680
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
2-methoxy-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81205521
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone (CID 115871790) is 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone?
The InChIKey is HPTWHLNPNDSOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-5-11(6-9(8)2)10(12)7-13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone?
1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone has a molecular weight of 185.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 115871790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).