methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate

C14H19N3O3 — CID 124709192

IUPACmethyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C
InChIInChI=1S/C14H19N3O3/c1-16-11(7-8-15-16)13-10(14(19)20-2)5-6-12(18)17(13)9-3-4-9/h7-10,13H,3-6H2,1-2H3/t10-,13+/m0/s1
InChIKeyHSUODXYKEZMTNI-GXFFZTMASA-N
MW277.32 g/mol
LogP1.04
Rot. Bonds3

About methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate

methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate (PubChem CID 124709192) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
PubChem CID124709192
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C
InChIInChI=1S/C14H19N3O3/c1-16-11(7-8-15-16)13-10(14(19)20-2)5-6-12(18)17(13)9-3-4-9/h7-10,13H,3-6H2,1-2H3/t10-,13+/m0/s1
InChIKeyHSUODXYKEZMTNI-GXFFZTMASA-N
XLogP1.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-5-methylfuran-3-carboxamide
CID 128971411
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 128971174
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]cyclopropanesulfonamide
CID 128977876
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976738
5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 128981706
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980643
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
CID 128989265
methyl (4R,9aS)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650745
methyl (4R)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650748
5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 114554528
3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013807
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate (CID 124709192) is methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate is COC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C.
What is the InChIKey of methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate?
The InChIKey is HSUODXYKEZMTNI-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-11(7-8-15-16)13-10(14(19)20-2)5-6-12(18)17(13)9-3-4-9/h7-10,13H,3-6H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate?
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 124709192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).