(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone

C41H52N2O5 — CID 134203197

IUPAC(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C3CC(c4c(OC)ccc5cc(C(=O)C6CCCN(C7CCCCC7)C6)ccc45)C3)C2)c(OC)c1
InChIInChI=1S/C41H52N2O5/c1-46-34-15-17-36(38(24-34)48-3)41(45)30-10-8-20-43(26-30)33-22-31(23-33)39-35-16-13-28(21-27(35)14-18-37(39)47-2)40(44)29-9-7-19-42(25-29)32-11-5-4-6-12-32/h13-18,21,24,29-33H,4-12,19-20,22-23,25-26H2,1-3H3/t29?,30-,31?,33?/m1/s1
InChIKeyJZYPNQUHJGANQL-PKMRKCBQSA-N
MW652.88 g/mol
LogP7.93
Rot. Bonds10

About (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone

(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone (PubChem CID 134203197) has the molecular formula C41H52N2O5 and a molecular weight of 652.88 g/mol. Its IUPAC name is (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
PubChem CID134203197
Molecular FormulaC41H52N2O5
Molecular Weight652.88 g/mol
Exact Mass652.39
IUPAC Name(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C3CC(c4c(OC)ccc5cc(C(=O)C6CCCN(C7CCCCC7)C6)ccc45)C3)C2)c(OC)c1
InChIInChI=1S/C41H52N2O5/c1-46-34-15-17-36(38(24-34)48-3)41(45)30-10-8-20-43(26-30)33-22-31(23-33)39-35-16-13-28(21-27(35)14-18-37(39)47-2)40(44)29-9-7-19-42(25-29)32-11-5-4-6-12-32/h13-18,21,24,29-33H,4-12,19-20,22-23,25-26H2,1-3H3/t29?,30-,31?,33?/m1/s1
InChIKeyJZYPNQUHJGANQL-PKMRKCBQSA-N
XLogP7.93
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.88
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone with MolForge

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Related Compounds

(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone
CID 134203206
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone?
The IUPAC name of (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone (CID 134203197) is (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone.
What is the SMILES notation for (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone?
The canonical SMILES for (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(C3CC(c4c(OC)ccc5cc(C(=O)C6CCCN(C7CCCCC7)C6)ccc45)C3)C2)c(OC)c1.
What is the InChIKey of (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone?
The InChIKey is JZYPNQUHJGANQL-PKMRKCBQSA-N. The full InChI is InChI=1S/C41H52N2O5/c1-46-34-15-17-36(38(24-34)48-3)41(45)30-10-8-20-43(26-30)33-22-31(23-33)39-35-16-13-28(21-27(35)14-18-37(39)47-2)40(44)29-9-7-19-42(25-29)32-11-5-4-6-12-32/h13-18,21,24,29-33H,4-12,19-20,22-23,25-26H2,1-3H3/t29?,30-,31?,33?/m1/s1.
What are the key properties of (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone?
(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone has a molecular weight of 652.88 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone is sourced from PubChem (CID 134203197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).