4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride

C13H23ClN6O3S — CID 120920971

IUPAC4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C13H22N6O3S.ClH/c14-23(21,22)18-10-8-17(9-11-18)12(20)13(2-5-15-6-3-13)19-7-1-4-16-19;/h1,4,7,15H,2-3,5-6,8-11H2,(H2,14,21,22);1H
InChIKeyKYKYCNDWDMJZDM-UHFFFAOYSA-N
MW378.89 g/mol
LogP-1.27
Rot. Bonds3

About 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride

4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride (PubChem CID 120920971) has the molecular formula C13H23ClN6O3S and a molecular weight of 378.89 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
PubChem CID120920971
Molecular FormulaC13H23ClN6O3S
Molecular Weight378.89 g/mol
Exact Mass378.12
IUPAC Name4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C13H22N6O3S.ClH/c14-23(21,22)18-10-8-17(9-11-18)12(20)13(2-5-15-6-3-13)19-7-1-4-16-19;/h1,4,7,15H,2-3,5-6,8-11H2,(H2,14,21,22);1H
InChIKeyKYKYCNDWDMJZDM-UHFFFAOYSA-N
XLogP-1.27
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride (CID 120920971) is 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride is Cl.NS(=O)(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride?
The InChIKey is KYKYCNDWDMJZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3S.ClH/c14-23(21,22)18-10-8-17(9-11-18)12(20)13(2-5-15-6-3-13)19-7-1-4-16-19;/h1,4,7,15H,2-3,5-6,8-11H2,(H2,14,21,22);1H.
What are the key properties of 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride?
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride has a molecular weight of 378.89 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120920971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).