(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone

C15H20N4O — CID 81457192

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c3ccccc23)CCC1N
InChIInChI=1S/C15H20N4O/c1-2-10-9-19(8-7-12(10)16)15(20)14-11-5-3-4-6-13(11)17-18-14/h3-6,10,12H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyNHRFNUHFNSYPSL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.76
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone (PubChem CID 81457192) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
PubChem CID81457192
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c3ccccc23)CCC1N
InChIInChI=1S/C15H20N4O/c1-2-10-9-19(8-7-12(10)16)15(20)14-11-5-3-4-6-13(11)17-18-14/h3-6,10,12H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyNHRFNUHFNSYPSL-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 120746009

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone (CID 81457192) is (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone is CCC1CN(C(=O)c2n[nH]c3ccccc23)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is NHRFNUHFNSYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-10-9-19(8-7-12(10)16)15(20)14-11-5-3-4-6-13(11)17-18-14/h3-6,10,12H,2,7-9,16H2,1H3,(H,17,18).
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 81457192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).