4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine

C13H22N4O2S — CID 102692305

IUPAC4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22N4O2S/c18-20(19,13-4-7-14-15-13)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h4,7,12H,1-3,5-6,8-11H2,(H,14,15)
InChIKeyHPGBTPDEPBFCOJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.05
Rot. Bonds3

About 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine

4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine (PubChem CID 102692305) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
PubChem CID102692305
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22N4O2S/c18-20(19,13-4-7-14-15-13)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h4,7,12H,1-3,5-6,8-11H2,(H,14,15)
InChIKeyHPGBTPDEPBFCOJ-UHFFFAOYSA-N
XLogP1.05
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 102692301
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
5-(1H-pyrazol-5-ylsulfonyl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 102690954
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 167405018
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The IUPAC name of 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine (CID 102692305) is 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine is O=S(=O)(c1ccn[nH]1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The InChIKey is HPGBTPDEPBFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c18-20(19,13-4-7-14-15-13)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h4,7,12H,1-3,5-6,8-11H2,(H,14,15).
What are the key properties of 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine has a molecular weight of 298.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 102692305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).