[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C15H26ClN5O3S — CID 119403670

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C15H25N5O3S.ClH/c1-11-14(12(2)18-17-11)24(22,23)20-7-3-4-13(10-20)15(21)19-8-5-16-6-9-19;/h13,16H,3-10H2,1-2H3,(H,17,18);1H
InChIKeyRXJNDAVLHFIGBT-UHFFFAOYSA-N
MW391.93 g/mol
LogP0.28
Rot. Bonds3

About [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403670) has the molecular formula C15H26ClN5O3S and a molecular weight of 391.93 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403670
Molecular FormulaC15H26ClN5O3S
Molecular Weight391.93 g/mol
Exact Mass391.14
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C15H25N5O3S.ClH/c1-11-14(12(2)18-17-11)24(22,23)20-7-3-4-13(10-20)15(21)19-8-5-16-6-9-19;/h13,16H,3-10H2,1-2H3,(H,17,18);1H
InChIKeyRXJNDAVLHFIGBT-UHFFFAOYSA-N
XLogP0.28
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone;hydrochloride
CID 119520705
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 110328647
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355764
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119514471
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 119403670) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCNCC2)C1.Cl.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is RXJNDAVLHFIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S.ClH/c1-11-14(12(2)18-17-11)24(22,23)20-7-3-4-13(10-20)15(21)19-8-5-16-6-9-19;/h13,16H,3-10H2,1-2H3,(H,17,18);1H.
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 391.93 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).