[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C19H26N2O7 — CID 9201496

IUPAC[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O7/c1-25-14-7-12(8-15(26-2)18(14)27-3)9-17(23)28-11-16(22)21-6-4-5-13(10-21)19(20)24/h7-8,13H,4-6,9-11H2,1-3H3,(H2,20,24)/t13-/m1/s1
InChIKeyWVKOWQUSHXPWMK-CYBMUJFWSA-N
MW394.42 g/mol
LogP0.52
Rot. Bonds8

About [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 9201496) has the molecular formula C19H26N2O7 and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID9201496
Molecular FormulaC19H26N2O7
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O7/c1-25-14-7-12(8-15(26-2)18(14)27-3)9-17(23)28-11-16(22)21-6-4-5-13(10-21)19(20)24/h7-8,13H,4-6,9-11H2,1-3H3,(H2,20,24)/t13-/m1/s1
InChIKeyWVKOWQUSHXPWMK-CYBMUJFWSA-N
XLogP0.52
TPSA117.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 9287886
1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide
CID 71907359
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879874
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 9491435
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335249
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229141
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119397988

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 9201496) is [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc(OC)c1OC.
What is the InChIKey of [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is WVKOWQUSHXPWMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N2O7/c1-25-14-7-12(8-15(26-2)18(14)27-3)9-17(23)28-11-16(22)21-6-4-5-13(10-21)19(20)24/h7-8,13H,4-6,9-11H2,1-3H3,(H2,20,24)/t13-/m1/s1.
What are the key properties of [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 394.42 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 9201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).