4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide

C17H22N2O3 — CID 111840825

IUPAC4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)N3CCC(CO)CC3)cc21
InChIInChI=1S/C17H22N2O3/c20-11-12-6-8-19(9-7-12)17(22)18-14-5-4-13-2-1-3-16(21)15(13)10-14/h4-5,10,12,20H,1-3,6-9,11H2,(H,18,22)
InChIKeyZACWUKATSIWNOG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds2

About 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide (PubChem CID 111840825) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
PubChem CID111840825
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)N3CCC(CO)CC3)cc21
InChIInChI=1S/C17H22N2O3/c20-11-12-6-8-19(9-7-12)17(22)18-14-5-4-13-2-1-3-16(21)15(13)10-14/h4-5,10,12,20H,1-3,6-9,11H2,(H,18,22)
InChIKeyZACWUKATSIWNOG-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 136513000
1-[2-(hydroxymethyl)cyclohexyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840817
1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828
(3S)-3-hydroxy-1-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)pyrrolidine-1,3-dicarboxamide
CID 164642350
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71875420
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide (CID 111840825) is 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide is O=C1CCCc2ccc(NC(=O)N3CCC(CO)CC3)cc21.
What is the InChIKey of 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide?
The InChIKey is ZACWUKATSIWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-11-12-6-8-19(9-7-12)17(22)18-14-5-4-13-2-1-3-16(21)15(13)10-14/h4-5,10,12,20H,1-3,6-9,11H2,(H,18,22).
What are the key properties of 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111840825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).