3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

C27H39N5O2 — CID 175632674

IUPAC3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESC[C@H](CC1CCCCC1)CN1CCN(c2cccc3c(C4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C27H39N5O2/c1-19(17-20-7-4-3-5-8-20)18-31-13-15-32(16-14-31)23-10-6-9-21-25(29-30(2)26(21)23)22-11-12-24(33)28-27(22)34/h6,9-10,19-20,22H,3-5,7-8,11-18H2,1-2H3,(H,28,33,34)/t19-,22?/m1/s1
InChIKeyGOKFYHPGUHINNG-LCQOSCCDSA-N
MW465.64 g/mol
LogP3.82
Rot. Bonds6

About 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 175632674) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID175632674
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESC[C@H](CC1CCCCC1)CN1CCN(c2cccc3c(C4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C27H39N5O2/c1-19(17-20-7-4-3-5-8-20)18-31-13-15-32(16-14-31)23-10-6-9-21-25(29-30(2)26(21)23)22-11-12-24(33)28-27(22)34/h6,9-10,19-20,22H,3-5,7-8,11-18H2,1-2H3,(H,28,33,34)/t19-,22?/m1/s1
InChIKeyGOKFYHPGUHINNG-LCQOSCCDSA-N
XLogP3.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 175632674) is 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is C[C@H](CC1CCCCC1)CN1CCN(c2cccc3c(C4CCC(=O)NC4=O)nn(C)c23)CC1.
What is the InChIKey of 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is GOKFYHPGUHINNG-LCQOSCCDSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-19(17-20-7-4-3-5-8-20)18-31-13-15-32(16-14-31)23-10-6-9-21-25(29-30(2)26(21)23)22-11-12-24(33)28-27(22)34/h6,9-10,19-20,22H,3-5,7-8,11-18H2,1-2H3,(H,28,33,34)/t19-,22?/m1/s1.
What are the key properties of 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 465.64 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 175632674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).