[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C30H27F2NO2 — CID 123788766

IUPAC[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(F)cc2F)ccc2ccccc12
InChIInChI=1S/C30H27F2NO2/c31-23-11-15-26(28(32)20-23)27-14-10-21-6-2-3-7-25(21)29(27)30(34)22-8-12-24(13-9-22)35-19-18-33-16-4-1-5-17-33/h2-3,6-15,20H,1,4-5,16-19H2
InChIKeyMNNWWTKJECFVRR-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.88
Rot. Bonds7

About [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 123788766) has the molecular formula C30H27F2NO2 and a molecular weight of 471.55 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID123788766
Molecular FormulaC30H27F2NO2
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(F)cc2F)ccc2ccccc12
InChIInChI=1S/C30H27F2NO2/c31-23-11-15-26(28(32)20-23)27-14-10-21-6-2-3-7-25(21)29(27)30(34)22-8-12-24(13-9-22)35-19-18-33-16-4-1-5-17-33/h2-3,6-15,20H,1,4-5,16-19H2
InChIKeyMNNWWTKJECFVRR-UHFFFAOYSA-N
XLogP6.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[4-(2-piperidin-1-ylethoxy)phenyl]-(2-pyrrolidin-1-yl-1-benzothiophen-3-yl)methanone
CID 15435112
indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932264
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 67005014

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 123788766) is [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(F)cc2F)ccc2ccccc12.
What is the InChIKey of [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is MNNWWTKJECFVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2NO2/c31-23-11-15-26(28(32)20-23)27-14-10-21-6-2-3-7-25(21)29(27)30(34)22-8-12-24(13-9-22)35-19-18-33-16-4-1-5-17-33/h2-3,6-15,20H,1,4-5,16-19H2.
What are the key properties of [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 471.55 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 123788766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).