5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid

C16H22N4O3 — CID 166290612

IUPAC5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)N1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C16H22N4O3/c1-3-7-19(8-4-2)16(23)20-9-5-12(6-10-20)13-11-14(15(21)22)18-17-13/h3-4,11-12H,1-2,5-10H2,(H,17,18)(H,21,22)
InChIKeyQWBPGZKJASYXJC-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.08
Rot. Bonds6

About 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid

5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166290612) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID166290612
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)N1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C16H22N4O3/c1-3-7-19(8-4-2)16(23)20-9-5-12(6-10-20)13-11-14(15(21)22)18-17-13/h3-4,11-12H,1-2,5-10H2,(H,17,18)(H,21,22)
InChIKeyQWBPGZKJASYXJC-UHFFFAOYSA-N
XLogP2.08
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid (CID 166290612) is 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid is C=CCN(CC=C)C(=O)N1CCC(c2cc(C(=O)O)n[nH]2)CC1.
What is the InChIKey of 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is QWBPGZKJASYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-7-19(8-4-2)16(23)20-9-5-12(6-10-20)13-11-14(15(21)22)18-17-13/h3-4,11-12H,1-2,5-10H2,(H,17,18)(H,21,22).
What are the key properties of 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166290612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).