[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C14H23N3O2 — CID 174800852

IUPAC[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC1CN(OC(=O)C(C)(C)C)CCC1c1ccn[nH]1
InChIInChI=1S/C14H23N3O2/c1-10-9-17(19-13(18)14(2,3)4)8-6-11(10)12-5-7-15-16-12/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16)
InChIKeyIJJKYUMCVBCWDC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds2

About [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174800852) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174800852
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC1CN(OC(=O)C(C)(C)C)CCC1c1ccn[nH]1
InChIInChI=1S/C14H23N3O2/c1-10-9-17(19-13(18)14(2,3)4)8-6-11(10)12-5-7-15-16-12/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16)
InChIKeyIJJKYUMCVBCWDC-UHFFFAOYSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174800852) is [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC1CN(OC(=O)C(C)(C)C)CCC1c1ccn[nH]1.
What is the InChIKey of [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is IJJKYUMCVBCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-17(19-13(18)14(2,3)4)8-6-11(10)12-5-7-15-16-12/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16).
What are the key properties of [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 265.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174800852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).