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

C22H27N3O3 — CID 53117258

IUPAC3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-22(20(26)23-15-17-8-6-11-19(14-17)28-2)12-7-13-25(16-22)21(27)24-18-9-4-3-5-10-18/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGBJRIOZLEHAAPG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds5

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

3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 53117258) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID53117258
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-22(20(26)23-15-17-8-6-11-19(14-17)28-2)12-7-13-25(16-22)21(27)24-18-9-4-3-5-10-18/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGBJRIOZLEHAAPG-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 53117258) is 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is COc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is GBJRIOZLEHAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(20(26)23-15-17-8-6-11-19(14-17)28-2)12-7-13-25(16-22)21(27)24-18-9-4-3-5-10-18/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).