N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide

C32H36N2O4 — CID 18794550

IUPACN-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc3c2CCC(CCN2CCC(c4ccccc4)CC2)C3=O)c1
InChIInChI=1S/C32H36N2O4/c1-37-25-12-14-30(38-2)29(21-25)33-32(36)28-10-6-9-27-26(28)13-11-24(31(27)35)17-20-34-18-15-23(16-19-34)22-7-4-3-5-8-22/h3-10,12,14,21,23-24H,11,13,15-20H2,1-2H3,(H,33,36)
InChIKeyZEIKACILKWZLAS-UHFFFAOYSA-N
MW512.65 g/mol
LogP5.97
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide

N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide (PubChem CID 18794550) has the molecular formula C32H36N2O4 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide
PubChem CID18794550
Molecular FormulaC32H36N2O4
Molecular Weight512.65 g/mol
Exact Mass512.27
IUPAC NameN-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc3c2CCC(CCN2CCC(c4ccccc4)CC2)C3=O)c1
InChIInChI=1S/C32H36N2O4/c1-37-25-12-14-30(38-2)29(21-25)33-32(36)28-10-6-9-27-26(28)13-11-24(31(27)35)17-20-34-18-15-23(16-19-34)22-7-4-3-5-8-22/h3-10,12,14,21,23-24H,11,13,15-20H2,1-2H3,(H,33,36)
InChIKeyZEIKACILKWZLAS-UHFFFAOYSA-N
XLogP5.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 18794615
5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 22273782
N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 18794697
N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 18794666
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 18986558
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
2-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 67551931

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide (CID 18794550) is N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide is COc1ccc(OC)c(NC(=O)c2cccc3c2CCC(CCN2CCC(c4ccccc4)CC2)C3=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide?
The InChIKey is ZEIKACILKWZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O4/c1-37-25-12-14-30(38-2)29(21-25)33-32(36)28-10-6-9-27-26(28)13-11-24(31(27)35)17-20-34-18-15-23(16-19-34)22-7-4-3-5-8-22/h3-10,12,14,21,23-24H,11,13,15-20H2,1-2H3,(H,33,36).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide?
N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide has a molecular weight of 512.65 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-1-carboxamide is sourced from PubChem (CID 18794550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).