4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C25H30N2O4 — CID 155926888

IUPAC4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)Nc3ccc(C)cc3)CC1)C2
InChIInChI=1S/C25H30N2O4/c1-16-4-6-20(7-5-16)26-25(29)27-10-8-17(9-11-27)12-19-13-18-14-22(30-2)23(31-3)15-21(18)24(19)28/h4-7,14-15,17,19H,8-13H2,1-3H3,(H,26,29)
InChIKeyMIOYCNXLODNNCW-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.70
Rot. Bonds5

About 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 155926888) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID155926888
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)Nc3ccc(C)cc3)CC1)C2
InChIInChI=1S/C25H30N2O4/c1-16-4-6-20(7-5-16)26-25(29)27-10-8-17(9-11-27)12-19-13-18-14-22(30-2)23(31-3)15-21(18)24(19)28/h4-7,14-15,17,19H,8-13H2,1-3H3,(H,26,29)
InChIKeyMIOYCNXLODNNCW-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2,3-dihydroxybutanedioic acid
CID 56947395
[4-[[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]phenyl] thiohypofluorite;ethane
CID 143118935
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 155926888) is 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide is COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)Nc3ccc(C)cc3)CC1)C2.
What is the InChIKey of 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is MIOYCNXLODNNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-16-4-6-20(7-5-16)26-25(29)27-10-8-17(9-11-27)12-19-13-18-14-22(30-2)23(31-3)15-21(18)24(19)28/h4-7,14-15,17,19H,8-13H2,1-3H3,(H,26,29).
What are the key properties of 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 155926888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).