1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione

C26H36N4O2 — CID 177065316

IUPAC1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
SMILESCn1c(C2CCN(CCC3CCCCC3)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C26H36N4O2/c1-28-23(20-10-14-29(15-11-20)13-9-19-5-3-2-4-6-19)17-21-7-8-22(18-24(21)28)30-16-12-25(31)27-26(30)32/h7-8,17-20H,2-6,9-16H2,1H3,(H,27,31,32)
InChIKeyHHQFWHFJVIIAAK-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.77
Rot. Bonds5

About 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione

1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 177065316) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
PubChem CID177065316
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
SMILESCn1c(C2CCN(CCC3CCCCC3)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C26H36N4O2/c1-28-23(20-10-14-29(15-11-20)13-9-19-5-3-2-4-6-19)17-21-7-8-22(18-24(21)28)30-16-12-25(31)27-26(30)32/h7-8,17-20H,2-6,9-16H2,1H3,(H,27,31,32)
InChIKeyHHQFWHFJVIIAAK-UHFFFAOYSA-N
XLogP4.77
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione (CID 177065316) is 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione is Cn1c(C2CCN(CCC3CCCCC3)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21.
What is the InChIKey of 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HHQFWHFJVIIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-28-23(20-10-14-29(15-11-20)13-9-19-5-3-2-4-6-19)17-21-7-8-22(18-24(21)28)30-16-12-25(31)27-26(30)32/h7-8,17-20H,2-6,9-16H2,1H3,(H,27,31,32).
What are the key properties of 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 436.60 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-cyclohexylethyl)piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177065316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).