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'}

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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).