N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C19H25N3O3S — CID 4620051

IUPACN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23)
InChIKeyWBAVCJQQCFWSHL-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.55
Rot. Bonds3

About N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4620051) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID4620051
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23)
InChIKeyWBAVCJQQCFWSHL-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 4620051) is N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WBAVCJQQCFWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).