methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate

C26H32N2O6 — CID 55758858

IUPACmethyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C26H32N2O6/c1-32-22-15-21(16-23(17-22)33-2)26(31)27-12-9-20(10-13-27)25(30)28(14-11-24(29)34-3)18-19-7-5-4-6-8-19/h4-8,15-17,20H,9-14,18H2,1-3H3
InChIKeyBUOCOUOOFCECIB-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.15
Rot. Bonds9

About methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate

methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate (PubChem CID 55758858) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
PubChem CID55758858
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Namemethyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C26H32N2O6/c1-32-22-15-21(16-23(17-22)33-2)26(31)27-12-9-20(10-13-27)25(30)28(14-11-24(29)34-3)18-19-7-5-4-6-8-19/h4-8,15-17,20H,9-14,18H2,1-3H3
InChIKeyBUOCOUOOFCECIB-UHFFFAOYSA-N
XLogP3.15
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
CID 55756635
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
methyl 3-[benzyl-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoate
CID 55513497
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
methyl 4-[benzyl-[1-(4-cyanophenyl)piperidine-4-carbonyl]amino]butanoate
CID 19391335
methyl 3-[benzyl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]propanoate
CID 55513989

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate (CID 55758858) is methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate?
The InChIKey is BUOCOUOOFCECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-32-22-15-21(16-23(17-22)33-2)26(31)27-12-9-20(10-13-27)25(30)28(14-11-24(29)34-3)18-19-7-5-4-6-8-19/h4-8,15-17,20H,9-14,18H2,1-3H3.
What are the key properties of methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate?
methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate has a molecular weight of 468.55 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 55758858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).