2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one

C14H25N3O2 — CID 104930925

IUPAC2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCCCC2)CCC1=NO
InChIInChI=1S/C14H25N3O2/c1-11-10-17(9-6-13(11)15-19)12(2)14(18)16-7-4-3-5-8-16/h11-12,19H,3-10H2,1-2H3
InChIKeyIQUARBYVBDYCHZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.56
Rot. Bonds2

About 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one

2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 104930925) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID104930925
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCCCC2)CCC1=NO
InChIInChI=1S/C14H25N3O2/c1-11-10-17(9-6-13(11)15-19)12(2)14(18)16-7-4-3-5-8-16/h11-12,19H,3-10H2,1-2H3
InChIKeyIQUARBYVBDYCHZ-UHFFFAOYSA-N
XLogP1.56
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-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-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
N-(3-methyl-1-pentan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 107895778
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 104930803
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 104930843

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one (CID 104930925) is 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one is CC1CN(C(C)C(=O)N2CCCCC2)CCC1=NO.
What is the InChIKey of 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is IQUARBYVBDYCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-10-17(9-6-13(11)15-19)12(2)14(18)16-7-4-3-5-8-16/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104930925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).