(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone

C27H33NO3 — CID 67658259

IUPAC(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone
SMILESCCc1ccc2cc(OC)ccc2c1C(=O)C1=CCC(OCCN2CCCCC2)C=C1
InChIInChI=1S/C27H33NO3/c1-3-20-7-8-22-19-24(30-2)13-14-25(22)26(20)27(29)21-9-11-23(12-10-21)31-18-17-28-15-5-4-6-16-28/h7-11,13-14,19,23H,3-6,12,15-18H2,1-2H3
InChIKeyGHNDPUSKQFQURK-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.35
Rot. Bonds8

About (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone

(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone (PubChem CID 67658259) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone
PubChem CID67658259
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone
SMILESCCc1ccc2cc(OC)ccc2c1C(=O)C1=CCC(OCCN2CCCCC2)C=C1
InChIInChI=1S/C27H33NO3/c1-3-20-7-8-22-19-24(30-2)13-14-25(22)26(20)27(29)21-9-11-23(12-10-21)31-18-17-28-15-5-4-6-16-28/h7-11,13-14,19,23H,3-6,12,15-18H2,1-2H3
InChIKeyGHNDPUSKQFQURK-UHFFFAOYSA-N
XLogP5.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone
CID 67594243
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
CID 91116090
[2-(2-ethyl-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19600498
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
CID 46231083
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015
4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide
CID 59804103
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone?
The IUPAC name of (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone (CID 67658259) is (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone.
What is the SMILES notation for (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone?
The canonical SMILES for (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone is CCc1ccc2cc(OC)ccc2c1C(=O)C1=CCC(OCCN2CCCCC2)C=C1.
What is the InChIKey of (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone?
The InChIKey is GHNDPUSKQFQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c1-3-20-7-8-22-19-24(30-2)13-14-25(22)26(20)27(29)21-9-11-23(12-10-21)31-18-17-28-15-5-4-6-16-28/h7-11,13-14,19,23H,3-6,12,15-18H2,1-2H3.
What are the key properties of (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone?
(2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone has a molecular weight of 419.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-methoxynaphthalen-1-yl)-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone is sourced from PubChem (CID 67658259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).