4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C16H23N3O3 — CID 120673037

IUPAC4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3cn[nH]c3)CC2)CC1
InChIInChI=1S/C16H23N3O3/c20-15(12-1-3-13(4-2-12)16(21)22)19-7-5-11(6-8-19)14-9-17-18-10-14/h9-13H,1-8H2,(H,17,18)(H,21,22)
InChIKeyWLXPRLFYDDXILK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.01
Rot. Bonds3

About 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120673037) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120673037
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3cn[nH]c3)CC2)CC1
InChIInChI=1S/C16H23N3O3/c20-15(12-1-3-13(4-2-12)16(21)22)19-7-5-11(6-8-19)14-9-17-18-10-14/h9-13H,1-8H2,(H,17,18)(H,21,22)
InChIKeyWLXPRLFYDDXILK-UHFFFAOYSA-N
XLogP2.01
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120673037) is 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCC(c3cn[nH]c3)CC2)CC1.
What is the InChIKey of 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is WLXPRLFYDDXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(12-1-3-13(4-2-12)16(21)22)19-7-5-11(6-8-19)14-9-17-18-10-14/h9-13H,1-8H2,(H,17,18)(H,21,22).
What are the key properties of 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).