(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone

C14H18N4O — CID 11529001

IUPAC(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)n2nc(N)c3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c1-10-6-8-17(9-7-10)14(19)18-12-5-3-2-4-11(12)13(15)16-18/h2-5,10H,6-9H2,1H3,(H2,15,16)
InChIKeyDDSXALGWTNKSLP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.32
Rot. Bonds

About (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone

(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 11529001) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID11529001
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)n2nc(N)c3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c1-10-6-8-17(9-7-10)14(19)18-12-5-3-2-4-11(12)13(15)16-18/h2-5,10H,6-9H2,1H3,(H2,15,16)
InChIKeyDDSXALGWTNKSLP-UHFFFAOYSA-N
XLogP2.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 11529001) is (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)n2nc(N)c3ccccc32)CC1.
What is the InChIKey of (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DDSXALGWTNKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-6-8-17(9-7-10)14(19)18-12-5-3-2-4-11(12)13(15)16-18/h2-5,10H,6-9H2,1H3,(H2,15,16).
What are the key properties of (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 11529001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).