[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone

C21H21NO3 — CID 19579214

IUPAC[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCCC1
InChIInChI=1S/C21H21NO3/c23-21(22-12-4-1-5-13-22)20-11-10-19(25-20)15-24-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyJCCXUSIIDHFTRQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.64
Rot. Bonds4

About [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 19579214) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID19579214
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCCC1
InChIInChI=1S/C21H21NO3/c23-21(22-12-4-1-5-13-22)20-11-10-19(25-20)15-24-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyJCCXUSIIDHFTRQ-UHFFFAOYSA-N
XLogP4.64
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119377660
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 112800527
(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 32648097
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119517190
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19337030
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[2-(aminomethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119466555
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579512
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167

Frequently Asked Questions

What is the IUPAC name of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone (CID 19579214) is [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCCC1.
What is the InChIKey of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JCCXUSIIDHFTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(22-12-4-1-5-13-22)20-11-10-19(25-20)15-24-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14H,1,4-5,12-13,15H2.
What are the key properties of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 335.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 19579214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).