N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide

C26H34N2O4 — CID 55790309

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1OC
InChIInChI=1S/C26H34N2O4/c1-18-13-19(2)15-22(14-18)26(30)28-11-6-7-21(17-28)25(29)27(3)12-10-20-8-9-23(31-4)24(16-20)32-5/h8-9,13-16,21H,6-7,10-12,17H2,1-5H3
InChIKeyZNEOGOVZIDCRFW-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 55790309) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID55790309
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1OC
InChIInChI=1S/C26H34N2O4/c1-18-13-19(2)15-22(14-18)26(30)28-11-6-7-21(17-28)25(29)27(3)12-10-20-8-9-23(31-4)24(16-20)32-5/h8-9,13-16,21H,6-7,10-12,17H2,1-5H3
InChIKeyZNEOGOVZIDCRFW-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 52524664
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 3607741
1-(2,4-difluorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 38010862
2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoacetamide
CID 95726350
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 5215766
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 26399742
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide (CID 55790309) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide is COc1ccc(CCN(C)C(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is ZNEOGOVZIDCRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-13-19(2)15-22(14-18)26(30)28-11-6-7-21(17-28)25(29)27(3)12-10-20-8-9-23(31-4)24(16-20)32-5/h8-9,13-16,21H,6-7,10-12,17H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55790309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).