1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

C17H20N2O — CID 2845493

IUPAC1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20)
InChIKeyFVNDYMXSBAPSHU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2845493) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2845493
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20)
InChIKeyFVNDYMXSBAPSHU-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (CID 2845493) is 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FVNDYMXSBAPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20).
What are the key properties of 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?
1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2845493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).