2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

C15H27N2O3- — CID 163140990

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCC(N([O-])O)CC2)C1
InChIInChI=1S/C15H27N2O3/c1-11-7-12(2)9-16(8-11)10-15(18)13-3-5-14(6-4-13)17(19)20/h11-14,19H,3-10H2,1-2H3/q-1
InChIKeyZDDPNPQDIMQRIV-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.28
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (PubChem CID 163140990) has the molecular formula C15H27N2O3- and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
PubChem CID163140990
Molecular FormulaC15H27N2O3-
Molecular Weight283.39 g/mol
Exact Mass283.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCC(N([O-])O)CC2)C1
InChIInChI=1S/C15H27N2O3/c1-11-7-12(2)9-16(8-11)10-15(18)13-3-5-14(6-4-13)17(19)20/h11-14,19H,3-10H2,1-2H3/q-1
InChIKeyZDDPNPQDIMQRIV-UHFFFAOYSA-N
XLogP2.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.28
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-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163178219
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-[3-[hydroxy(oxido)amino]-4-iodocyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163164379
2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163146359
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
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
N-acetyl-2-(3,5-dimethylpiperidin-1-yl)-N-phenylacetamide
CID 150565764

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (CID 163140990) is 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is CC1CC(C)CN(CC(=O)C2CCC(N([O-])O)CC2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The InChIKey is ZDDPNPQDIMQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O3/c1-11-7-12(2)9-16(8-11)10-15(18)13-3-5-14(6-4-13)17(19)20/h11-14,19H,3-10H2,1-2H3/q-1.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone has a molecular weight of 283.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is sourced from PubChem (CID 163140990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).