2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

C18H26N2O3 — CID 111117369

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-11-9-12(2)16(13(3)10-11)19-17(22)18(23)20-7-5-15(6-8-20)14(4)21/h9-10,14-15,21H,5-8H2,1-4H3,(H,19,22)
InChIKeyNKYDRMBBHBPCFQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.17
Rot. Bonds2

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 111117369) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID111117369
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-11-9-12(2)16(13(3)10-11)19-17(22)18(23)20-7-5-15(6-8-20)14(4)21/h9-10,14-15,21H,5-8H2,1-4H3,(H,19,22)
InChIKeyNKYDRMBBHBPCFQ-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 111117390
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 112627391
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344
N-(3-bromophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019309
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (CID 111117369) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NKYDRMBBHBPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11-9-12(2)16(13(3)10-11)19-17(22)18(23)20-7-5-15(6-8-20)14(4)21/h9-10,14-15,21H,5-8H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 111117369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).