ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

C23H32N2O6 — CID 45241326

IUPACethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C23H32N2O6/c1-3-30-21(27)23(16-17-8-6-7-15-31-17)11-13-25(14-12-23)22(28)24-19-10-5-4-9-18(19)20(26)29-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,28)
InChIKeyYOWCMSYHRJVTRK-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.61
Rot. Bonds6

About ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 45241326) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
PubChem CID45241326
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Nameethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C23H32N2O6/c1-3-30-21(27)23(16-17-8-6-7-15-31-17)11-13-25(14-12-23)22(28)24-19-10-5-4-9-18(19)20(26)29-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,28)
InChIKeyYOWCMSYHRJVTRK-UHFFFAOYSA-N
XLogP3.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
ethyl 1-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25293826
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-prop-2-enoxybenzoyl)piperidine-4-carboxylate
CID 42459916
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25299071
ethyl 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 42460174
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
CID 3362158
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
ethyl 3-[1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3811122
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate (CID 45241326) is ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1.
What is the InChIKey of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is YOWCMSYHRJVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-3-30-21(27)23(16-17-8-6-7-15-31-17)11-13-25(14-12-23)22(28)24-19-10-5-4-9-18(19)20(26)29-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,28).
What are the key properties of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 45241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).