4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide

C24H32N2O4 — CID 68972515

IUPAC4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
SMILESCC(C)(C)c1ccc(CC2CCN(C(=O)O)CC2)cc1.NC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H25NO2.C7H7NO2/c1-17(2,3)15-6-4-13(5-7-15)12-14-8-10-18(11-9-14)16(19)20;8-7(10)5-1-3-6(9)4-2-5/h4-7,14H,8-12H2,1-3H3,(H,19,20);1-4,9H,(H2,8,10)
InChIKeyVUWDNDLSGVOZEI-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.41
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide

4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide (PubChem CID 68972515) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
PubChem CID68972515
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
SMILESCC(C)(C)c1ccc(CC2CCN(C(=O)O)CC2)cc1.NC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H25NO2.C7H7NO2/c1-17(2,3)15-6-4-13(5-7-15)12-14-8-10-18(11-9-14)16(19)20;8-7(10)5-1-3-6(9)4-2-5/h4-7,14H,8-12H2,1-3H3,(H,19,20);1-4,9H,(H2,8,10)
InChIKeyVUWDNDLSGVOZEI-UHFFFAOYSA-N
XLogP4.41
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040
4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68975518
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 166612520
4-(cyclobutylmethyl)benzamide
CID 174975666
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
4-[[[C-(4-benzylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111152730
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide (CID 68972515) is 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide is CC(C)(C)c1ccc(CC2CCN(C(=O)O)CC2)cc1.NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The InChIKey is VUWDNDLSGVOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C7H7NO2/c1-17(2,3)15-6-4-13(5-7-15)12-14-8-10-18(11-9-14)16(19)20;8-7(10)5-1-3-6(9)4-2-5/h4-7,14H,8-12H2,1-3H3,(H,19,20);1-4,9H,(H2,8,10).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide is sourced from PubChem (CID 68972515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).