1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

C14H21N3O4 — CID 53485897

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-6-4-11(5-7-16)17-9-10(8-15-17)12(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyXUZBQTPCOHAVQD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.15
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 53485897) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID53485897
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-6-4-11(5-7-16)17-9-10(8-15-17)12(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyXUZBQTPCOHAVQD-UHFFFAOYSA-N
XLogP2.15
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid (CID 53485897) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is XUZBQTPCOHAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-6-4-11(5-7-16)17-9-10(8-15-17)12(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 53485897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).