3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

C23H29N3O4 — CID 55413626

IUPAC3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H29N3O4/c1-25(15-17-11-12-20(29-2)14-21(17)30-3)22(27)18-8-7-13-26(16-18)23(28)24-19-9-5-4-6-10-19/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,24,28)
InChIKeyYUXLCIWVKJLYMI-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.61
Rot. Bonds6

About 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55413626) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55413626
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H29N3O4/c1-25(15-17-11-12-20(29-2)14-21(17)30-3)22(27)18-8-7-13-26(16-18)23(28)24-19-9-5-4-6-10-19/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,24,28)
InChIKeyYUXLCIWVKJLYMI-UHFFFAOYSA-N
XLogP3.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 112790483
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55413626) is 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is COc1ccc(CN(C)C(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1.
What is the InChIKey of 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is YUXLCIWVKJLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-25(15-17-11-12-20(29-2)14-21(17)30-3)22(27)18-8-7-13-26(16-18)23(28)24-19-9-5-4-6-10-19/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,24,28).
What are the key properties of 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55413626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).