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

C18H28N2O2 — CID 119328668

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-8-6-13(7-9-15)16(21)12-20-17(22)14-5-4-10-19-11-14/h6-9,14,16,19,21H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyDERKQHZZHONFDI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.13
Rot. Bonds4

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

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide (PubChem CID 119328668) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
PubChem CID119328668
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-8-6-13(7-9-15)16(21)12-20-17(22)14-5-4-10-19-11-14/h6-9,14,16,19,21H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyDERKQHZZHONFDI-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
methyl 3-(4-tert-butylphenyl)-3-(piperidine-3-carbonylamino)propanoate
CID 119331976
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
CID 119294119
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide (CID 119328668) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The InChIKey is DERKQHZZHONFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-8-6-13(7-9-15)16(21)12-20-17(22)14-5-4-10-19-11-14/h6-9,14,16,19,21H,4-5,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.13, 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]piperidine-3-carboxamide is sourced from PubChem (CID 119328668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).