3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide

C21H27N3O4 — CID 71849001

IUPAC3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC2CCCN(C(=O)Nc3ccccc3OC)C2)cc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-26-17-11-16(12-18(13-17)27-2)22-15-7-6-10-24(14-15)21(25)23-19-8-4-5-9-20(19)28-3/h4-5,8-9,11-13,15,22H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyLIRFCAZQJXBTTO-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.82
Rot. Bonds6

About 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide

3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 71849001) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID71849001
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC2CCCN(C(=O)Nc3ccccc3OC)C2)cc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-26-17-11-16(12-18(13-17)27-2)22-15-7-6-10-24(14-15)21(25)23-19-8-4-5-9-20(19)28-3/h4-5,8-9,11-13,15,22H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyLIRFCAZQJXBTTO-UHFFFAOYSA-N
XLogP3.82
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
CID 96542823
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 100908584
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
[(3S)-3-(3,5-dimethoxyanilino)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124568909
3-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 71848941
3-amino-1-[3-(3,5-dimethoxyanilino)piperidin-1-yl]butan-1-one
CID 120873076
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
4-[1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257006

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 71849001) is 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1cc(NC2CCCN(C(=O)Nc3ccccc3OC)C2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LIRFCAZQJXBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-17-11-16(12-18(13-17)27-2)22-15-7-6-10-24(14-15)21(25)23-19-8-4-5-9-20(19)28-3/h4-5,8-9,11-13,15,22H,6-7,10,14H2,1-3H3,(H,23,25).
What are the key properties of 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71849001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).