1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione

C20H27N5O2 — CID 168870495

IUPAC1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)N1CCC(n2cc3cc(N4CCC(=O)NC4=O)ccc3n2)CC1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)23-9-6-15(7-10-23)25-13-14-12-16(4-5-17(14)22-25)24-11-8-18(26)21-19(24)27/h4-5,12-13,15H,6-11H2,1-3H3,(H,21,26,27)
InChIKeyCNGCBJQSIDGQOK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.92
Rot. Bonds2

About 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione

1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 168870495) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID168870495
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)N1CCC(n2cc3cc(N4CCC(=O)NC4=O)ccc3n2)CC1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)23-9-6-15(7-10-23)25-13-14-12-16(4-5-17(14)22-25)24-11-8-18(26)21-19(24)27/h4-5,12-13,15H,6-11H2,1-3H3,(H,21,26,27)
InChIKeyCNGCBJQSIDGQOK-UHFFFAOYSA-N
XLogP2.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione (CID 168870495) is 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione is CC(C)(C)N1CCC(n2cc3cc(N4CCC(=O)NC4=O)ccc3n2)CC1.
What is the InChIKey of 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CNGCBJQSIDGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)23-9-6-15(7-10-23)25-13-14-12-16(4-5-17(14)22-25)24-11-8-18(26)21-19(24)27/h4-5,12-13,15H,6-11H2,1-3H3,(H,21,26,27).
What are the key properties of 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione?
1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 168870495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).