(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate

C25H38N2O4 — CID 58071632

IUPAC(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCN(C(=O)OC3CCC(C(C)(C)C)CC3)CC2)ccc1O
InChIInChI=1S/C25H38N2O4/c1-17-15-18(5-10-22(17)28)16-26-23(29)19-11-13-27(14-12-19)24(30)31-21-8-6-20(7-9-21)25(2,3)4/h5,10,15,19-21,28H,6-9,11-14,16H2,1-4H3,(H,26,29)
InChIKeyRDBIYKLDMKXPKI-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.77
Rot. Bonds4

About (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate

(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 58071632) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID58071632
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Name(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCN(C(=O)OC3CCC(C(C)(C)C)CC3)CC2)ccc1O
InChIInChI=1S/C25H38N2O4/c1-17-15-18(5-10-22(17)28)16-26-23(29)19-11-13-27(14-12-19)24(30)31-21-8-6-20(7-9-21)25(2,3)4/h5,10,15,19-21,28H,6-9,11-14,16H2,1-4H3,(H,26,29)
InChIKeyRDBIYKLDMKXPKI-UHFFFAOYSA-N
XLogP4.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4-tert-butylcyclohexyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 58071629
(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 58071635
[(1S,3S)-3-methylcyclohexyl] 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 44517550
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 58071647
2,6-dimethylheptan-4-yl 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 52935557
tert-butyl 4-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51218821
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224404
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 58071632) is (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate is Cc1cc(CNC(=O)C2CCN(C(=O)OC3CCC(C(C)(C)C)CC3)CC2)ccc1O.
What is the InChIKey of (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is RDBIYKLDMKXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O4/c1-17-15-18(5-10-22(17)28)16-26-23(29)19-11-13-27(14-12-19)24(30)31-21-8-6-20(7-9-21)25(2,3)4/h5,10,15,19-21,28H,6-9,11-14,16H2,1-4H3,(H,26,29).
What are the key properties of (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 430.59 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58071632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).