N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide

C18H26N2O3 — CID 111422615

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-7-4-12(5-8-14)15(21)11-20-17(23)13-6-9-16(22)19-10-13/h4-5,7-8,13,15,21H,6,9-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQRAIQKUKAQLQMA-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 111422615) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
PubChem CID111422615
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-7-4-12(5-8-14)15(21)11-20-17(23)13-6-9-16(22)19-10-13/h4-5,7-8,13,15,21H,6,9-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQRAIQKUKAQLQMA-UHFFFAOYSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2,2-dicyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036656
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-(2-ethoxypropyl)-6-oxopiperidine-3-carboxamide
CID 115649057
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83192606
2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83193569
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide (CID 111422615) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)C2CCC(=O)NC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QRAIQKUKAQLQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)14-7-4-12(5-8-14)15(21)11-20-17(23)13-6-9-16(22)19-10-13/h4-5,7-8,13,15,21H,6,9-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 111422615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).