N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide

C18H28N2O3 — CID 68635251

IUPACN-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(O)CCN(Cc1ccc(O)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-18(2,23)9-11-20(13-14-5-7-16(21)8-6-14)17(22)15-4-3-10-19-12-15/h5-8,15,19,21,23H,3-4,9-13H2,1-2H3
InChIKeyWZDKIEAAOKUKCL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.88
Rot. Bonds6

About N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide

N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 68635251) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID68635251
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(O)CCN(Cc1ccc(O)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-18(2,23)9-11-20(13-14-5-7-16(21)8-6-14)17(22)15-4-3-10-19-12-15/h5-8,15,19,21,23H,3-4,9-13H2,1-2H3
InChIKeyWZDKIEAAOKUKCL-UHFFFAOYSA-N
XLogP1.88
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide (CID 68635251) is N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide is CC(C)(O)CCN(Cc1ccc(O)cc1)C(=O)C1CCCNC1.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WZDKIEAAOKUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,23)9-11-20(13-14-5-7-16(21)8-6-14)17(22)15-4-3-10-19-12-15/h5-8,15,19,21,23H,3-4,9-13H2,1-2H3.
What are the key properties of N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 68635251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).