(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone

C15H20N4O — CID 60905246

IUPAC(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O/c1-2-11-5-3-4-8-19(11)15(20)14-12-9-10(16)6-7-13(12)17-18-14/h6-7,9,11H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyDFFLZPLEVGUKQF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds2

About (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone

(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 60905246) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID60905246
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O/c1-2-11-5-3-4-8-19(11)15(20)14-12-9-10(16)6-7-13(12)17-18-14/h6-7,9,11H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyDFFLZPLEVGUKQF-UHFFFAOYSA-N
XLogP2.55
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone (CID 60905246) is (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DFFLZPLEVGUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-11-5-3-4-8-19(11)15(20)14-12-9-10(16)6-7-13(12)17-18-14/h6-7,9,11H,2-5,8,16H2,1H3,(H,17,18).
What are the key properties of (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 60905246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).