1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

C23H29N3O4 — CID 53117255

IUPAC1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-7-4-9-19(13-17)29-2)11-6-12-26(16-23)22(28)25-18-8-5-10-20(14-18)30-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyDOWXQSMKWHXYNT-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.65
Rot. Bonds6

About 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117255) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117255
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-7-4-9-19(13-17)29-2)11-6-12-26(16-23)22(28)25-18-8-5-10-20(14-18)30-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyDOWXQSMKWHXYNT-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (CID 53117255) is 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is COc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(OC)c3)C2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is DOWXQSMKWHXYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-7-4-9-19(13-17)29-2)11-6-12-26(16-23)22(28)25-18-8-5-10-20(14-18)30-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).