[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C28H34N2O6 — CID 46611700

IUPAC[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)NC2CCOc3ccccc32)C1c1ccccc1OC
InChIInChI=1S/C28H34N2O6/c1-3-4-16-30-26(32)14-13-21(27(30)20-10-6-7-11-23(20)34-2)28(33)36-18-25(31)29-22-15-17-35-24-12-8-5-9-19(22)24/h5-12,21-22,27H,3-4,13-18H2,1-2H3,(H,29,31)
InChIKeyUSUSPPGZOKSHAN-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.96
Rot. Bonds9

About [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 46611700) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID46611700
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)NC2CCOc3ccccc32)C1c1ccccc1OC
InChIInChI=1S/C28H34N2O6/c1-3-4-16-30-26(32)14-13-21(27(30)20-10-6-7-11-23(20)34-2)28(33)36-18-25(31)29-22-15-17-35-24-12-8-5-9-19(22)24/h5-12,21-22,27H,3-4,13-18H2,1-2H3,(H,29,31)
InChIKeyUSUSPPGZOKSHAN-UHFFFAOYSA-N
XLogP3.96
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 9138119
[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 55406220
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 55479002
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 55406163
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24660303

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 46611700) is [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCCCN1C(=O)CCC(C(=O)OCC(=O)NC2CCOc3ccccc32)C1c1ccccc1OC.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is USUSPPGZOKSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-3-4-16-30-26(32)14-13-21(27(30)20-10-6-7-11-23(20)34-2)28(33)36-18-25(31)29-22-15-17-35-24-12-8-5-9-19(22)24/h5-12,21-22,27H,3-4,13-18H2,1-2H3,(H,29,31).
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 494.59 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 46611700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).