N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide

C22H29N3O3 — CID 45245331

IUPACN-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-15-7-8-17(12-16(15)2)23-18-6-5-11-25(14-18)22(26)24-20-10-9-19(27-3)13-21(20)28-4/h7-10,12-13,18,23H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyVYLYKNQXMPSGSU-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.43
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide (PubChem CID 45245331) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
PubChem CID45245331
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-15-7-8-17(12-16(15)2)23-18-6-5-11-25(14-18)22(26)24-20-10-9-19(27-3)13-21(20)28-4/h7-10,12-13,18,23H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyVYLYKNQXMPSGSU-UHFFFAOYSA-N
XLogP4.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
CID 96542823
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
CID 126850554

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide (CID 45245331) is N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide?
The InChIKey is VYLYKNQXMPSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-7-8-17(12-16(15)2)23-18-6-5-11-25(14-18)22(26)24-20-10-9-19(27-3)13-21(20)28-4/h7-10,12-13,18,23H,5-6,11,14H2,1-4H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 45245331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).