4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid

C14H21N3O3 — CID 126527157

IUPAC4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccn(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H21N3O3/c18-14(19)16-6-1-11(2-7-16)13-3-8-17(15-13)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,18,19)
InChIKeyQNSMYXCFMFYVQI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds2

About 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid

4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 126527157) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid
PubChem CID126527157
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccn(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H21N3O3/c18-14(19)16-6-1-11(2-7-16)13-3-8-17(15-13)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,18,19)
InChIKeyQNSMYXCFMFYVQI-UHFFFAOYSA-N
XLogP2.09
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid (CID 126527157) is 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccn(C3CCOCC3)n2)CC1.
What is the InChIKey of 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is QNSMYXCFMFYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-14(19)16-6-1-11(2-7-16)13-3-8-17(15-13)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,18,19).
What are the key properties of 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid?
4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 126527157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).