1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide

C17H19N3O2 — CID 2948272

IUPAC1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H19N3O2/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22)
InChIKeyFMARMUWIFYJZQJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds2

About 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide

1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide (PubChem CID 2948272) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide
PubChem CID2948272
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H19N3O2/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22)
InChIKeyFMARMUWIFYJZQJ-UHFFFAOYSA-N
XLogP2.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide (CID 2948272) is 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide is NC(=O)C1CCCN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide?
The InChIKey is FMARMUWIFYJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22).
What are the key properties of 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide?
1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 2948272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).