3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide

C19H26N6O4S — CID 47039274

IUPAC3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)N2CCCC(NS(C)(=O)=O)C2)c1)n1cccn1
InChIInChI=1S/C19H26N6O4S/c1-14(25-11-5-9-20-25)18(26)21-15-6-3-7-16(12-15)22-19(27)24-10-4-8-17(13-24)23-30(2,28)29/h3,5-7,9,11-12,14,17,23H,4,8,10,13H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyMGBMRDUFPGKXQL-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.63
Rot. Bonds6

About 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide

3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 47039274) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide
PubChem CID47039274
Molecular FormulaC19H26N6O4S
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)N2CCCC(NS(C)(=O)=O)C2)c1)n1cccn1
InChIInChI=1S/C19H26N6O4S/c1-14(25-11-5-9-20-25)18(26)21-15-6-3-7-16(12-15)22-19(27)24-10-4-8-17(13-24)23-30(2,28)29/h3,5-7,9,11-12,14,17,23H,4,8,10,13H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyMGBMRDUFPGKXQL-UHFFFAOYSA-N
XLogP1.63
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide (CID 47039274) is 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide is CC(C(=O)Nc1cccc(NC(=O)N2CCCC(NS(C)(=O)=O)C2)c1)n1cccn1.
What is the InChIKey of 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is MGBMRDUFPGKXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-14(25-11-5-9-20-25)18(26)21-15-6-3-7-16(12-15)22-19(27)24-10-4-8-17(13-24)23-30(2,28)29/h3,5-7,9,11-12,14,17,23H,4,8,10,13H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide?
3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 47039274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).