tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate

C15H24N4O3 — CID 84554290

IUPACtert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C15H24N4O3/c1-10-8-12(18-17-10)16-13(20)11-6-5-7-19(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H2,16,17,18,20)
InChIKeyIMFAIEIDALLKFZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 84554290) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID84554290
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C15H24N4O3/c1-10-8-12(18-17-10)16-13(20)11-6-5-7-19(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H2,16,17,18,20)
InChIKeyIMFAIEIDALLKFZ-UHFFFAOYSA-N
XLogP2.30
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
tert-butyl 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 58563967
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate (CID 84554290) is tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate is Cc1cc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1.
What is the InChIKey of tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is IMFAIEIDALLKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-8-12(18-17-10)16-13(20)11-6-5-7-19(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H2,16,17,18,20).
What are the key properties of tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 84554290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).