[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C19H25N3O6 — CID 7827723

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H25N3O6/c1-27-15-5-3-2-4-14(15)19(26)21-9-6-17(24)28-12-16(23)22-10-7-13(8-11-22)18(20)25/h2-5,13H,6-12H2,1H3,(H2,20,25)(H,21,26)
InChIKeyZBSXGVFREMBWLZ-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.08
Rot. Bonds8

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827723) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827723
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H25N3O6/c1-27-15-5-3-2-4-14(15)19(26)21-9-6-17(24)28-12-16(23)22-10-7-13(8-11-22)18(20)25/h2-5,13H,6-12H2,1H3,(H2,20,25)(H,21,26)
InChIKeyZBSXGVFREMBWLZ-UHFFFAOYSA-N
XLogP0.08
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 4287885
(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827643
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
CID 84565797
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827723) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is ZBSXGVFREMBWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-27-15-5-3-2-4-14(15)19(26)21-9-6-17(24)28-12-16(23)22-10-7-13(8-11-22)18(20)25/h2-5,13H,6-12H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 391.42 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).