2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide

C18H22N2O2 — CID 4097803

IUPAC2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCCC1CCO
InChIInChI=1S/C18H22N2O2/c21-13-11-15-8-3-4-12-20(15)18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22)
InChIKeyHFLCIWHRCGZLAW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide

2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 4097803) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID4097803
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCCC1CCO
InChIInChI=1S/C18H22N2O2/c21-13-11-15-8-3-4-12-20(15)18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22)
InChIKeyHFLCIWHRCGZLAW-UHFFFAOYSA-N
XLogP3.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 4097803) is 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCCCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is HFLCIWHRCGZLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-13-11-15-8-3-4-12-20(15)18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22).
What are the key properties of 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 4097803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).