1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

C21H25N3O3 — CID 24761950

IUPAC1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)17-10-7-13-24(15-17)21(26)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyLMSHOMRCGNWTMH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds5

About 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 24761950) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID24761950
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)17-10-7-13-24(15-17)21(26)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyLMSHOMRCGNWTMH-UHFFFAOYSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 24761950) is 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is LMSHOMRCGNWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)17-10-7-13-24(15-17)21(26)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24761950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).