[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone

C36H40N2O3 — CID 10840369

IUPAC[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1cc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C36H40N2O3/c39-36(29-12-16-33(17-13-29)41-24-22-37-18-4-1-5-19-37)35-27-31-9-3-2-8-30(31)26-34(35)28-10-14-32(15-11-28)40-25-23-38-20-6-7-21-38/h2-3,8-17,26-27H,1,4-7,18-25H2
InChIKeyMYVMSVJUGOILPM-UHFFFAOYSA-N
MW548.73 g/mol
LogP7.08
Rot. Bonds11

About [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone

[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone (PubChem CID 10840369) has the molecular formula C36H40N2O3 and a molecular weight of 548.73 g/mol. Its IUPAC name is [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
PubChem CID10840369
Molecular FormulaC36H40N2O3
Molecular Weight548.73 g/mol
Exact Mass548.30
IUPAC Name[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1cc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C36H40N2O3/c39-36(29-12-16-33(17-13-29)41-24-22-37-18-4-1-5-19-37)35-27-31-9-3-2-8-30(31)26-34(35)28-10-14-32(15-11-28)40-25-23-38-20-6-7-21-38/h2-3,8-17,26-27H,1,4-7,18-25H2
InChIKeyMYVMSVJUGOILPM-UHFFFAOYSA-N
XLogP7.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932264
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-benzothiophen-3-yl]methanone
CID 21183030
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone
CID 21442611
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[2-(4-aminophenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 22462724

Frequently Asked Questions

What is the IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone?
The IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone (CID 10840369) is [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone.
What is the SMILES notation for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone?
The canonical SMILES for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)c1cc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone?
The InChIKey is MYVMSVJUGOILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O3/c39-36(29-12-16-33(17-13-29)41-24-22-37-18-4-1-5-19-37)35-27-31-9-3-2-8-30(31)26-34(35)28-10-14-32(15-11-28)40-25-23-38-20-6-7-21-38/h2-3,8-17,26-27H,1,4-7,18-25H2.
What are the key properties of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone?
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone has a molecular weight of 548.73 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone is sourced from PubChem (CID 10840369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).