methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate

C14H21N3O3 — CID 79833334

IUPACmethyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H21N3O3/c1-10-8-11(2)17(15-10)9-13(18)16-7-5-4-6-12(16)14(19)20-3/h8,12H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyNCULUZDQCJATFA-GFCCVEGCSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds3

About methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate (PubChem CID 79833334) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
PubChem CID79833334
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H21N3O3/c1-10-8-11(2)17(15-10)9-13(18)16-7-5-4-6-12(16)14(19)20-3/h8,12H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyNCULUZDQCJATFA-GFCCVEGCSA-N
XLogP1.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 56790676
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
methyl 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate (CID 79833334) is methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C.
What is the InChIKey of methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is NCULUZDQCJATFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-11(2)17(15-10)9-13(18)16-7-5-4-6-12(16)14(19)20-3/h8,12H,4-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).