1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C29H27N3O5 — CID 38645004

IUPAC1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C29H27N3O5/c1-37-25-9-5-4-8-24(25)30-26(33)20-14-16-31(17-15-20)27(34)21-12-10-19(11-13-21)18-32-28(35)22-6-2-3-7-23(22)29(32)36/h2-13,20H,14-18H2,1H3,(H,30,33)
InChIKeyZNUWHHHAHIZZPP-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 38645004) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID38645004
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C29H27N3O5/c1-37-25-9-5-4-8-24(25)30-26(33)20-14-16-31(17-15-20)27(34)21-12-10-19(11-13-21)18-32-28(35)22-6-2-3-7-23(22)29(32)36/h2-13,20H,14-18H2,1H3,(H,30,33)
InChIKeyZNUWHHHAHIZZPP-UHFFFAOYSA-N
XLogP3.98
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 134802123
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 38645004) is 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZNUWHHHAHIZZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-37-25-9-5-4-8-24(25)30-26(33)20-14-16-31(17-15-20)27(34)21-12-10-19(11-13-21)18-32-28(35)22-6-2-3-7-23(22)29(32)36/h2-13,20H,14-18H2,1H3,(H,30,33).
What are the key properties of 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38645004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).