1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide

C25H28N2O — CID 2903395

IUPAC1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O/c28-25(26-16-13-20-7-2-1-3-8-20)22-14-17-27(18-15-22)19-23-11-6-10-21-9-4-5-12-24(21)23/h1-12,22H,13-19H2,(H,26,28)
InChIKeyOARLUURHZQVIFT-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.41
Rot. Bonds6

About 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 2903395) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID2903395
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O/c28-25(26-16-13-20-7-2-1-3-8-20)22-14-17-27(18-15-22)19-23-11-6-10-21-9-4-5-12-24(21)23/h1-12,22H,13-19H2,(H,26,28)
InChIKeyOARLUURHZQVIFT-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 2903395) is 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is OARLUURHZQVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-25(26-16-13-20-7-2-1-3-8-20)22-14-17-27(18-15-22)19-23-11-6-10-21-9-4-5-12-24(21)23/h1-12,22H,13-19H2,(H,26,28).
What are the key properties of 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).