methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate

C15H17N3O3 — CID 78918912

IUPACmethyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)10-5-4-8-18(9-10)14(19)13-11-6-2-3-7-12(11)16-17-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXCMWZEZUDKZYOO-JTQLQIEISA-N
MW287.32 g/mol
LogP1.59
Rot. Bonds2

About methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78918912) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID78918912
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)10-5-4-8-18(9-10)14(19)13-11-6-2-3-7-12(11)16-17-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXCMWZEZUDKZYOO-JTQLQIEISA-N
XLogP1.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
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
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate (CID 78918912) is methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is XCMWZEZUDKZYOO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(20)10-5-4-8-18(9-10)14(19)13-11-6-2-3-7-12(11)16-17-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78918912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).