propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate

C19H28N2O6 — CID 24885232

IUPACpropan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)OCC2CCN(C(=O)OC(C)C)CC2)c(OC)c1
InChIInChI=1S/C19H28N2O6/c1-13(2)27-19(23)21-9-7-14(8-10-21)12-26-18(22)20-16-6-5-15(24-3)11-17(16)25-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,20,22)
InChIKeyAIDBFUDLPNMUHN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.51
Rot. Bonds6

About propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate (PubChem CID 24885232) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
PubChem CID24885232
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Namepropan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)OCC2CCN(C(=O)OC(C)C)CC2)c(OC)c1
InChIInChI=1S/C19H28N2O6/c1-13(2)27-19(23)21-9-7-14(8-10-21)12-26-18(22)20-16-6-5-15(24-3)11-17(16)25-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,20,22)
InChIKeyAIDBFUDLPNMUHN-UHFFFAOYSA-N
XLogP3.51
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
propan-2-yl 4-[[3-methoxy-4-(4-methylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 143689806
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
CID 91737375
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
tert-butyl 4-[[4-fluoro-2-(4-methoxyphenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710663
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716331

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate (CID 24885232) is propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate is COc1ccc(NC(=O)OCC2CCN(C(=O)OC(C)C)CC2)c(OC)c1.
What is the InChIKey of propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The InChIKey is AIDBFUDLPNMUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-13(2)27-19(23)21-9-7-14(8-10-21)12-26-18(22)20-16-6-5-15(24-3)11-17(16)25-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,20,22).
What are the key properties of propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24885232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).