1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone

C14H16ClN3O — CID 158303166

IUPAC1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C14H16ClN3O/c1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h5-7,10H,2-4,8H2,1H3,(H,16,17)
InChIKeyADSRQKRMNLTEDA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.02
Rot. Bonds2

About 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone

1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone (PubChem CID 158303166) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
PubChem CID158303166
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C14H16ClN3O/c1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h5-7,10H,2-4,8H2,1H3,(H,16,17)
InChIKeyADSRQKRMNLTEDA-UHFFFAOYSA-N
XLogP3.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 158303164
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 121326167
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(oxetan-3-yl)methanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 158946055
6-chloro-4-[4-(4-methylphenyl)piperidin-1-yl]-1H-indazole;S-methylthiohydroxylamine
CID 145075688
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121327101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone (CID 158303166) is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.
What is the InChIKey of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone?
The InChIKey is ADSRQKRMNLTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h5-7,10H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone?
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone has a molecular weight of 277.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 158303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).