[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

C16H22N4O — CID 124693208

IUPAC[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3[C@H](C)N)c2c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-13-12(9-10)15(19-18-13)16(21)20-8-4-3-5-14(20)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3,(H,18,19)/t11-,14+/m0/s1
InChIKeyBGTVHMAJMICPIT-SMDDNHRTSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds2

About [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 124693208) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
PubChem CID124693208
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3[C@H](C)N)c2c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-13-12(9-10)15(19-18-13)16(21)20-8-4-3-5-14(20)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3,(H,18,19)/t11-,14+/m0/s1
InChIKeyBGTVHMAJMICPIT-SMDDNHRTSA-N
XLogP2.21
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 70742188
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119435086
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119434902
[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119437168

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 124693208) is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3[C@H](C)N)c2c1.
What is the InChIKey of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The InChIKey is BGTVHMAJMICPIT-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-7-13-12(9-10)15(19-18-13)16(21)20-8-4-3-5-14(20)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3,(H,18,19)/t11-,14+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 124693208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).