(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide

C18H22N2O2 — CID 56708528

IUPAC(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C18H22N2O2/c1-19(2)18(22)20-10-9-16(17(21)12-20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,21H,9-10,12H2,1-2H3/t16-,17+/m0/s1
InChIKeyCFCXAIJZPBQUHL-DLBZAZTESA-N
MW298.39 g/mol
LogP2.67
Rot. Bonds1

About (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide

(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide (PubChem CID 56708528) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide
PubChem CID56708528
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C18H22N2O2/c1-19(2)18(22)20-10-9-16(17(21)12-20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,21H,9-10,12H2,1-2H3/t16-,17+/m0/s1
InChIKeyCFCXAIJZPBQUHL-DLBZAZTESA-N
XLogP2.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide (CID 56708528) is (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide is CN(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide?
The InChIKey is CFCXAIJZPBQUHL-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19(2)18(22)20-10-9-16(17(21)12-20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,21H,9-10,12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide?
(3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-N,N-dimethyl-4-naphthalen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 56708528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).