3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide

C18H22N2O3 — CID 110900873

IUPAC3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C18H22N2O3/c21-15-7-4-11-20(13-15)18(22)19-10-12-23-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15,21H,4,7,10-13H2,(H,19,22)
InChIKeyHMBJGXQKKBSAHF-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.38
Rot. Bonds4

About 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide

3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide (PubChem CID 110900873) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
PubChem CID110900873
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C18H22N2O3/c21-15-7-4-11-20(13-15)18(22)19-10-12-23-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15,21H,4,7,10-13H2,(H,19,22)
InChIKeyHMBJGXQKKBSAHF-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-naphthalen-1-yloxyethyl)piperidine-1,4-dicarboxamide
CID 56797933
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 119738759
N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide
CID 110904200
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
CID 131918490
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide (CID 110900873) is 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide is O=C(NCCOc1cccc2ccccc12)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is HMBJGXQKKBSAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-15-7-4-11-20(13-15)18(22)19-10-12-23-17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15,21H,4,7,10-13H2,(H,19,22).
What are the key properties of 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide?
3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110900873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).