1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone

C14H18N4O — CID 119375250

IUPAC1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
SMILESNC1CCN(C(=O)Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C14H18N4O/c15-10-5-7-18(8-6-10)14(19)9-13-11-3-1-2-4-12(11)16-17-13/h1-4,10H,5-9,15H2,(H,16,17)
InChIKeySMAOHSBJNAQECQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone

1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone (PubChem CID 119375250) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
PubChem CID119375250
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
SMILESNC1CCN(C(=O)Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C14H18N4O/c15-10-5-7-18(8-6-10)14(19)9-13-11-3-1-2-4-12(11)16-17-13/h1-4,10H,5-9,15H2,(H,16,17)
InChIKeySMAOHSBJNAQECQ-UHFFFAOYSA-N
XLogP1.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851
1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718588
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone (CID 119375250) is 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone is NC1CCN(C(=O)Cc2[nH]nc3ccccc23)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone?
The InChIKey is SMAOHSBJNAQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-5-7-18(8-6-10)14(19)9-13-11-3-1-2-4-12(11)16-17-13/h1-4,10H,5-9,15H2,(H,16,17).
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 119375250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).