1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione

C25H28N4O3 — CID 168874652

IUPAC1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCC(n3cc4cc(N5CCCCC5)ccc4n3)C2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-32-21-8-5-18(6-9-21)16-28-24(30)12-11-23(25(28)31)29-17-19-15-20(7-10-22(19)26-29)27-13-3-2-4-14-27/h5-10,15,17,23H,2-4,11-14,16H2,1H3
InChIKeyNYWZFKDQXVOVED-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.93
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione

1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione (PubChem CID 168874652) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione
PubChem CID168874652
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCC(n3cc4cc(N5CCCCC5)ccc4n3)C2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-32-21-8-5-18(6-9-21)16-28-24(30)12-11-23(25(28)31)29-17-19-15-20(7-10-22(19)26-29)27-13-3-2-4-14-27/h5-10,15,17,23H,2-4,11-14,16H2,1H3
InChIKeyNYWZFKDQXVOVED-UHFFFAOYSA-N
XLogP3.93
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-1-[2-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]indazol-5-yl]azetidine-3-carboxylic acid
CID 175428519
3-[(4-methoxyphenyl)methyl]-1-(7-piperidin-1-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
CID 172811457
3-[5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 167288819
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 177301914
3-[3-[4-[1-(6-bromo-3-pyridinyl)piperidin-4-yl]piperidin-1-yl]phenyl]-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 175959328
1-[5-fluoro-1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperidine-4-carbaldehyde
CID 171598711
6-fluoro-1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
CID 177302355
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
1-(4-methoxyphenyl)piperidine
CID 10130315
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 138694206
3-(4-bromo-3-cyclopropyl-2-oxobenzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 164566952

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione (CID 168874652) is 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione is COc1ccc(CN2C(=O)CCC(n3cc4cc(N5CCCCC5)ccc4n3)C2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione?
The InChIKey is NYWZFKDQXVOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-21-8-5-18(6-9-21)16-28-24(30)12-11-23(25(28)31)29-17-19-15-20(7-10-22(19)26-29)27-13-3-2-4-14-27/h5-10,15,17,23H,2-4,11-14,16H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione?
1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione has a molecular weight of 432.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 168874652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).