1-N-phenylpiperidine-1,4-dicarboxamide

C13H17N3O2 — CID 769265

IUPAC1-N-phenylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
InChIKeyOSBGPHZLIBZPGJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.42
Rot. Bonds2

About 1-N-phenylpiperidine-1,4-dicarboxamide

1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 769265) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID769265
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-N-phenylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
InChIKeyOSBGPHZLIBZPGJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenylpiperidine-1,4-dicarboxamide (CID 769265) is 1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenylpiperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is OSBGPHZLIBZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18).
What are the key properties of 1-N-phenylpiperidine-1,4-dicarboxamide?
1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 769265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).