3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C23H29N3O4 — CID 55912491

IUPAC3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1OC
InChIInChI=1S/C23H29N3O4/c1-16-7-4-10-19(13-16)25-23(28)26-12-6-9-18(15-26)22(27)24-14-17-8-5-11-20(29-2)21(17)30-3/h4-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOMOIEKFGZNEXAH-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.57
Rot. Bonds6

About 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55912491) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55912491
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1OC
InChIInChI=1S/C23H29N3O4/c1-16-7-4-10-19(13-16)25-23(28)26-12-6-9-18(15-26)22(27)24-14-17-8-5-11-20(29-2)21(17)30-3/h4-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOMOIEKFGZNEXAH-UHFFFAOYSA-N
XLogP3.57
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552995
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55982410
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55912491) is 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is COc1cccc(CNC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1OC.
What is the InChIKey of 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is OMOIEKFGZNEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16-7-4-10-19(13-16)25-23(28)26-12-6-9-18(15-26)22(27)24-14-17-8-5-11-20(29-2)21(17)30-3/h4-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).