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

C14H25N2O3- — CID 163171818

IUPAC1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1
InChIInChI=1S/C14H25N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,18H,2-10H2,1H3/q-1
InChIKeyLRILTEOKIPRKSU-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.04
Rot. Bonds4

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

1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 163171818) has the molecular formula C14H25N2O3- and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID163171818
Molecular FormulaC14H25N2O3-
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1
InChIInChI=1S/C14H25N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,18H,2-10H2,1H3/q-1
InChIKeyLRILTEOKIPRKSU-UHFFFAOYSA-N
XLogP2.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163140990
1-[3-[hydroxy(oxido)amino]-4-iodocyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163164379
2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163178219
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
CID 163127778
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
N-(cyclohexylmethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 78894131
2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163128493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone (CID 163171818) is 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)C2CCC(N([O-])O)CC2)C1.
What is the InChIKey of 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is LRILTEOKIPRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,18H,2-10H2,1H3/q-1.
What are the key properties of 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone?
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 269.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 163171818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).