N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide

C26H29N3O2 — CID 76675652

IUPACN-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCc2ccc3c(c2)CCC3=C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)18-11-14-29(15-12-18)13-10-17-6-8-20-19(16-17)7-9-21(20)24-22-4-2-3-5-23(22)28-26(24)31/h2-6,8,16,18H,7,9-15H2,1H3,(H,27,30)(H,28,31)
InChIKeyCDQURHRLJBNNNM-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide

N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide (PubChem CID 76675652) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide
PubChem CID76675652
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCc2ccc3c(c2)CCC3=C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)18-11-14-29(15-12-18)13-10-17-6-8-20-19(16-17)7-9-21(20)24-22-4-2-3-5-23(22)28-26(24)31/h2-6,8,16,18H,7,9-15H2,1H3,(H,27,30)(H,28,31)
InChIKeyCDQURHRLJBNNNM-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide
CID 68999874
3-[5-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68997990
(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one
CID 10199133
3-[5-[[(3S,4R)-3,4-dihydroxypiperidin-1-yl]methyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68995153
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
ethyl 1-[[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]methyl]piperidine-3-carboxylate
CID 68994260
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
N,N-diethyl-1-[2-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]piperidine-3-carboxamide
CID 68994877
ethyl (2S)-1-[[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]methyl]pyrrolidine-2-carboxylate
CID 68995811
N-(4-cyano-2,5-difluorophenyl)-1-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 118050164
(3Z)-5-fluoro-3-[5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,3-dimethyl-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 44538522
3-[5-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 69000474

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide (CID 76675652) is N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide is CNC(=O)C1CCN(CCc2ccc3c(c2)CCC3=C2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is CDQURHRLJBNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-27-25(30)18-11-14-29(15-12-18)13-10-17-6-8-20-19(16-17)7-9-21(20)24-22-4-2-3-5-23(22)28-26(24)31/h2-6,8,16,18H,7,9-15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide?
N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 76675652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).