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

C17H31N2O4- — CID 163124821

IUPAC2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCCOC1CCC(C(=O)CN2CCC(C)CC2C)CC1N([O-])O
InChIInChI=1S/C17H31N2O4/c1-4-23-17-6-5-14(10-15(17)19(21)22)16(20)11-18-8-7-12(2)9-13(18)3/h12-15,17,21H,4-11H2,1-3H3/q-1
InChIKeyWYZIOZAYEOJWFQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.44
Rot. Bonds6

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

2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone (PubChem CID 163124821) has the molecular formula C17H31N2O4- and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
PubChem CID163124821
Molecular FormulaC17H31N2O4-
Molecular Weight327.45 g/mol
Exact Mass327.23
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCCOC1CCC(C(=O)CN2CCC(C)CC2C)CC1N([O-])O
InChIInChI=1S/C17H31N2O4/c1-4-23-17-6-5-14(10-15(17)19(21)22)16(20)11-18-8-7-12(2)9-13(18)3/h12-15,17,21H,4-11H2,1-3H3/q-1
InChIKeyWYZIOZAYEOJWFQ-UHFFFAOYSA-N
XLogP2.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone (CID 163124821) is 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone is CCOC1CCC(C(=O)CN2CCC(C)CC2C)CC1N([O-])O.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The InChIKey is WYZIOZAYEOJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2O4/c1-4-23-17-6-5-14(10-15(17)19(21)22)16(20)11-18-8-7-12(2)9-13(18)3/h12-15,17,21H,4-11H2,1-3H3/q-1.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone has a molecular weight of 327.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone is sourced from PubChem (CID 163124821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).