[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C32H32ClNO4 — CID 19362215

IUPAC[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESCOc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(Cl)cc3OC)ccc2c1
InChIInChI=1S/C32H32ClNO4/c1-36-26-12-15-27-23(20-26)8-13-29(28-14-9-24(33)21-30(28)37-2)31(27)32(35)22-6-10-25(11-7-22)38-19-18-34-16-4-3-5-17-34/h6-15,20-21H,3-5,16-19H2,1-2H3
InChIKeyCEFFEOIQZHLKHG-UHFFFAOYSA-N
MW530.06 g/mol
LogP7.27
Rot. Bonds9

About [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 19362215) has the molecular formula C32H32ClNO4 and a molecular weight of 530.06 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID19362215
Molecular FormulaC32H32ClNO4
Molecular Weight530.06 g/mol
Exact Mass529.20
IUPAC Name[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESCOc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(Cl)cc3OC)ccc2c1
InChIInChI=1S/C32H32ClNO4/c1-36-26-12-15-27-23(20-26)8-13-29(28-14-9-24(33)21-30(28)37-2)31(27)32(35)22-6-10-25(11-7-22)38-19-18-34-16-4-3-5-17-34/h6-15,20-21H,3-5,16-19H2,1-2H3
InChIKeyCEFFEOIQZHLKHG-UHFFFAOYSA-N
XLogP7.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.06
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone with MolForge

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Related Compounds

4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide
CID 59804103
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
[6-hydroxy-2-(2,3,5-trifluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 11237470
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[2-(2-ethyl-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19600498
[2-(3-chloro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]methanone
CID 67594243
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 19362215) is [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(Cl)cc3OC)ccc2c1.
What is the InChIKey of [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is CEFFEOIQZHLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClNO4/c1-36-26-12-15-27-23(20-26)8-13-29(28-14-9-24(33)21-30(28)37-2)31(27)32(35)22-6-10-25(11-7-22)38-19-18-34-16-4-3-5-17-34/h6-15,20-21H,3-5,16-19H2,1-2H3.
What are the key properties of [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 530.06 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 19362215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).