1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

C17H30N4O2S — CID 50848240

IUPAC1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)cn1
InChIInChI=1S/C17H30N4O2S/c1-3-20-14-17(11-18-20)24(22,23)21-9-6-16(7-10-21)13-19-8-4-5-15(2)12-19/h11,14-16H,3-10,12-13H2,1-2H3
InChIKeyLKTGPNROGRUDJU-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.04
Rot. Bonds5

About 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 50848240) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID50848240
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC Name1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)cn1
InChIInChI=1S/C17H30N4O2S/c1-3-20-14-17(11-18-20)24(22,23)21-9-6-16(7-10-21)13-19-8-4-5-15(2)12-19/h11,14-16H,3-10,12-13H2,1-2H3
InChIKeyLKTGPNROGRUDJU-UHFFFAOYSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (CID 50848240) is 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is CCn1cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)cn1.
What is the InChIKey of 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is LKTGPNROGRUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-3-20-14-17(11-18-20)24(22,23)21-9-6-16(7-10-21)13-19-8-4-5-15(2)12-19/h11,14-16H,3-10,12-13H2,1-2H3.
What are the key properties of 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine has a molecular weight of 354.52 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 50848240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).