3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide

C22H29N3O2 — CID 155878831

IUPAC3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOc1cccc(CN2CCCC(Nc3ccccc3)(C(=O)N(C)C)C2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)21(26)22(23-19-10-5-4-6-11-19)13-8-14-25(17-22)16-18-9-7-12-20(15-18)27-3/h4-7,9-12,15,23H,8,13-14,16-17H2,1-3H3
InChIKeyUXAFHUNPRPQRRG-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.23
Rot. Bonds6

About 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide

3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 155878831) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID155878831
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOc1cccc(CN2CCCC(Nc3ccccc3)(C(=O)N(C)C)C2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)21(26)22(23-19-10-5-4-6-11-19)13-8-14-25(17-22)16-18-9-7-12-20(15-18)27-3/h4-7,9-12,15,23H,8,13-14,16-17H2,1-3H3
InChIKeyUXAFHUNPRPQRRG-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878993
4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155879928
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide (CID 155878831) is 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide is COc1cccc(CN2CCCC(Nc3ccccc3)(C(=O)N(C)C)C2)c1.
What is the InChIKey of 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is UXAFHUNPRPQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(2)21(26)22(23-19-10-5-4-6-11-19)13-8-14-25(17-22)16-18-9-7-12-20(15-18)27-3/h4-7,9-12,15,23H,8,13-14,16-17H2,1-3H3.
What are the key properties of 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 155878831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).