(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H28N2O5 — CID 7836685

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOc1cc(C)c(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-16-13-20(28-2)21(29-3)14-18(16)15-30-22(26)17-9-11-25(12-10-17)23(27)24-19-7-5-4-6-8-19/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyWIXBTQBABDPPJN-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.00
Rot. Bonds6

About (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836685) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836685
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOc1cc(C)c(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-16-13-20(28-2)21(29-3)14-18(16)15-30-22(26)17-9-11-25(12-10-17)23(27)24-19-7-5-4-6-8-19/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyWIXBTQBABDPPJN-UHFFFAOYSA-N
XLogP4.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899069
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836618

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836685) is (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is COc1cc(C)c(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is WIXBTQBABDPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-16-13-20(28-2)21(29-3)14-18(16)15-30-22(26)17-9-11-25(12-10-17)23(27)24-19-7-5-4-6-8-19/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).