(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate

C24H30N2O4 — CID 58071635

IUPAC(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCN(C(=O)Oc3cccc(C(C)C)c3)CC2)ccc1O
InChIInChI=1S/C24H30N2O4/c1-16(2)20-5-4-6-21(14-20)30-24(29)26-11-9-19(10-12-26)23(28)25-15-18-7-8-22(27)17(3)13-18/h4-8,13-14,16,19,27H,9-12,15H2,1-3H3,(H,25,28)
InChIKeyGUKUBODIJPMCOE-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.35
Rot. Bonds5

About (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate

(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 58071635) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID58071635
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCN(C(=O)Oc3cccc(C(C)C)c3)CC2)ccc1O
InChIInChI=1S/C24H30N2O4/c1-16(2)20-5-4-6-21(14-20)30-24(29)26-11-9-19(10-12-26)23(28)25-15-18-7-8-22(27)17(3)13-18/h4-8,13-14,16,19,27H,9-12,15H2,1-3H3,(H,25,28)
InChIKeyGUKUBODIJPMCOE-UHFFFAOYSA-N
XLogP4.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate 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

(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 58071632
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 58071647
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
2,6-dimethylheptan-4-yl 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 52935557
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 55718257
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
(4-tert-butylcyclohexyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 58071629

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 58071635) is (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate is Cc1cc(CNC(=O)C2CCN(C(=O)Oc3cccc(C(C)C)c3)CC2)ccc1O.
What is the InChIKey of (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GUKUBODIJPMCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)20-5-4-6-21(14-20)30-24(29)26-11-9-19(10-12-26)23(28)25-15-18-7-8-22(27)17(3)13-18/h4-8,13-14,16,19,27H,9-12,15H2,1-3H3,(H,25,28).
What are the key properties of (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).