methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate

C25H30N2O5 — CID 122525050

IUPACmethyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)c2cccc(OC)c2C)(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C25H30N2O5/c1-16-12-17(2)14-19(13-16)22(28)25(10-7-11-27(15-25)24(30)32-5)26-23(29)20-8-6-9-21(31-4)18(20)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,26,29)
InChIKeyQIQNSHDZNASWQI-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.83
Rot. Bonds5

About methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate

methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 122525050) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID122525050
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namemethyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)c2cccc(OC)c2C)(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C25H30N2O5/c1-16-12-17(2)14-19(13-16)22(28)25(10-7-11-27(15-25)24(30)32-5)26-23(29)20-8-6-9-21(31-4)18(20)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,26,29)
InChIKeyQIQNSHDZNASWQI-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
CID 122525023
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
CID 11771754
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
3-methoxy-2-methylbenzohydrazide
CID 45091273
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633
methyl 3-methoxy-2-methylbenzoate
CID 12527049

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate (CID 122525050) is methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate is COC(=O)N1CCCC(NC(=O)c2cccc(OC)c2C)(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is QIQNSHDZNASWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16-12-17(2)14-19(13-16)22(28)25(10-7-11-27(15-25)24(30)32-5)26-23(29)20-8-6-9-21(31-4)18(20)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,26,29).
What are the key properties of methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate?
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 122525050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).