1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone

C16H21N3O2 — CID 56820766

IUPAC1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H21N3O2/c1-2-10-21-12-6-5-9-19(11-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyHMATWMXUCYVEDJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds4

About 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone

1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone (PubChem CID 56820766) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
PubChem CID56820766
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H21N3O2/c1-2-10-21-12-6-5-9-19(11-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyHMATWMXUCYVEDJ-UHFFFAOYSA-N
XLogP2.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62075422
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone (CID 56820766) is 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is HMATWMXUCYVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-10-21-12-6-5-9-19(11-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone?
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 56820766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).