N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide

C17H24N2O4 — CID 72902474

IUPACN-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)N1CCCCC1CO
InChIInChI=1S/C17H24N2O4/c1-3-23-16-8-7-13(12(2)21)10-15(16)18-17(22)19-9-5-4-6-14(19)11-20/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,22)
InChIKeyUDDLGBVQTUSHKG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.67
Rot. Bonds5

About N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide

N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 72902474) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID72902474
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)N1CCCCC1CO
InChIInChI=1S/C17H24N2O4/c1-3-23-16-8-7-13(12(2)21)10-15(16)18-17(22)19-9-5-4-6-14(19)11-20/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,22)
InChIKeyUDDLGBVQTUSHKG-UHFFFAOYSA-N
XLogP2.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 97283598
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
CID 63747068

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide (CID 72902474) is N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide is CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCCC1CO.
What is the InChIKey of N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UDDLGBVQTUSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-23-16-8-7-13(12(2)21)10-15(16)18-17(22)19-9-5-4-6-14(19)11-20/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,22).
What are the key properties of N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 72902474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).