3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione

C25H35N5O2 — CID 170432767

IUPAC3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCC(C1CCNCC1)N1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1
InChIInChI=1S/C25H35N5O2/c1-16(17-7-11-26-12-8-17)30-13-9-18(10-14-30)19-3-4-20-22(15-19)29(2)28-24(20)21-5-6-23(31)27-25(21)32/h3-4,15-18,21,26H,5-14H2,1-2H3,(H,27,31,32)
InChIKeyAMBLYIRELXKBTR-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.66
Rot. Bonds4

About 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170432767) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
PubChem CID170432767
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCC(C1CCNCC1)N1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1
InChIInChI=1S/C25H35N5O2/c1-16(17-7-11-26-12-8-17)30-13-9-18(10-14-30)19-3-4-20-22(15-19)29(2)28-24(20)21-5-6-23(31)27-25(21)32/h3-4,15-18,21,26H,5-14H2,1-2H3,(H,27,31,32)
InChIKeyAMBLYIRELXKBTR-UHFFFAOYSA-N
XLogP2.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911893
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
3-[6-[1-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
CID 178017758
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione (CID 170432767) is 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione is CC(C1CCNCC1)N1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1.
What is the InChIKey of 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is AMBLYIRELXKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-16(17-7-11-26-12-8-17)30-13-9-18(10-14-30)19-3-4-20-22(15-19)29(2)28-24(20)21-5-6-23(31)27-25(21)32/h3-4,15-18,21,26H,5-14H2,1-2H3,(H,27,31,32).
What are the key properties of 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 437.59 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170432767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).