N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

C20H30N2O6 — CID 113003294

IUPACN-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O6/c1-25-11-5-8-21-19(23)14-6-9-22(10-7-14)20(24)15-12-16(26-2)18(28-4)17(13-15)27-3/h12-14H,5-11H2,1-4H3,(H,21,23)
InChIKeyMMZIQGCVORKCCZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.72
Rot. Bonds9

About N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 113003294) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID113003294
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC NameN-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O6/c1-25-11-5-8-21-19(23)14-6-9-22(10-7-14)20(24)15-12-16(26-2)18(28-4)17(13-15)27-3/h12-14H,5-11H2,1-4H3,(H,21,23)
InChIKeyMMZIQGCVORKCCZ-UHFFFAOYSA-N
XLogP1.72
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 119745251
N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 125145382
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693279
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 42534718
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (CID 113003294) is N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is MMZIQGCVORKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-25-11-5-8-21-19(23)14-6-9-22(10-7-14)20(24)15-12-16(26-2)18(28-4)17(13-15)27-3/h12-14H,5-11H2,1-4H3,(H,21,23).
What are the key properties of N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).