2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

C14H26N3O3- — CID 163178219

IUPAC2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1N
InChIInChI=1S/C14H26N3O3/c1-10-3-2-8-16(14(10)15)9-13(18)11-4-6-12(7-5-11)17(19)20/h10-12,14,19H,2-9,15H2,1H3/q-1
InChIKeyGHECJULEVJCRDK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (PubChem CID 163178219) has the molecular formula C14H26N3O3- and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
PubChem CID163178219
Molecular FormulaC14H26N3O3-
Molecular Weight284.38 g/mol
Exact Mass284.20
IUPAC Name2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1N
InChIInChI=1S/C14H26N3O3/c1-10-3-2-8-16(14(10)15)9-13(18)11-4-6-12(7-5-11)17(19)20/h10-12,14,19H,2-9,15H2,1H3/q-1
InChIKeyGHECJULEVJCRDK-UHFFFAOYSA-N
XLogP1.32
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone 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-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163146359
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
3-methyl-1-[(2-methylcyclohexyl)methyl]piperidin-2-amine
CID 163122949
1-(cyclohexylmethyl)-3-methylpiperidin-2-amine
CID 163167256
2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
CID 163117426
2-(2-amino-5-iodopiperidin-1-yl)-1-[3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163121886
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-[3-[hydroxy(oxido)amino]-4-iodocyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163164379
1-[3-[hydroxy(oxido)amino]cyclohexyl]-2-(2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl)ethanone
CID 163125592
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The IUPAC name of 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (CID 163178219) is 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.
What is the SMILES notation for 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The canonical SMILES for 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is CC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1N.
What is the InChIKey of 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The InChIKey is GHECJULEVJCRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3O3/c1-10-3-2-8-16(14(10)15)9-13(18)11-4-6-12(7-5-11)17(19)20/h10-12,14,19H,2-9,15H2,1H3/q-1.
What are the key properties of 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone has a molecular weight of 284.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is sourced from PubChem (CID 163178219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).