piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H29N3O3S — CID 2211015

IUPACpiperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C19H29N3O3S/c1-15-13-16(2)18(17(3)14-15)26(24,25)22-11-9-21(10-12-22)19(23)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3
InChIKeySAPNJFLHCOFDOS-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.52
Rot. Bonds2

About piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2211015) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2211015
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Namepiperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C19H29N3O3S/c1-15-13-16(2)18(17(3)14-15)26(24,25)22-11-9-21(10-12-22)19(23)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3
InChIKeySAPNJFLHCOFDOS-UHFFFAOYSA-N
XLogP2.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2211015) is piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)c(C)c1.
What is the InChIKey of piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is SAPNJFLHCOFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-13-16(2)18(17(3)14-15)26(24,25)22-11-9-21(10-12-22)19(23)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3.
What are the key properties of piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 379.53 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2211015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).