2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide

C18H27ClN2O5 — CID 134333276

IUPAC2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide
SMILESCOC(O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2Cl)CCN(OC)CC1
InChIInChI=1S/C18H27ClN2O5/c1-12-9-14(15(19)10-13(12)2)11-16(22)21(24)18(17(23)25-3)5-7-20(26-4)8-6-18/h9-10,17,23-24H,5-8,11H2,1-4H3
InChIKeySKIOHMKVUHUJGW-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide

2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide (PubChem CID 134333276) has the molecular formula C18H27ClN2O5 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide
PubChem CID134333276
Molecular FormulaC18H27ClN2O5
Molecular Weight386.88 g/mol
Exact Mass386.16
IUPAC Name2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide
SMILESCOC(O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2Cl)CCN(OC)CC1
InChIInChI=1S/C18H27ClN2O5/c1-12-9-14(15(19)10-13(12)2)11-16(22)21(24)18(17(23)25-3)5-7-20(26-4)8-6-18/h9-10,17,23-24H,5-8,11H2,1-4H3
InChIKeySKIOHMKVUHUJGW-UHFFFAOYSA-N
XLogP2.08
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate
CID 58427951
methyl 4-[[2-(2-chloro-4,6-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate
CID 58427969
[4-[ethoxy(hydroxy)methyl]-1-methoxypiperidin-4-yl] 2-(2,4,5-trimethylphenyl)acetate
CID 91002495
methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
CID 58537913
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91504729
N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide
CID 70651561
2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
CID 130276926
N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide
CID 130238753
[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797755
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
3-(4-chloro-2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428060

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide (CID 134333276) is 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide is COC(O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2Cl)CCN(OC)CC1.
What is the InChIKey of 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide?
The InChIKey is SKIOHMKVUHUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O5/c1-12-9-14(15(19)10-13(12)2)11-16(22)21(24)18(17(23)25-3)5-7-20(26-4)8-6-18/h9-10,17,23-24H,5-8,11H2,1-4H3.
What are the key properties of 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide?
2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-dimethylphenyl)-N-hydroxy-N-[4-[hydroxy(methoxy)methyl]-1-methoxypiperidin-4-yl]acetamide is sourced from PubChem (CID 134333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).