N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C23H32N4O3S — CID 5309306

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H32N4O3S/c1-18-6-2-3-14-26(18)17-13-25-23(28)20-10-15-27(16-11-20)31(29,30)21-9-4-7-19-8-5-12-24-22(19)21/h4-5,7-9,12,18,20H,2-3,6,10-11,13-17H2,1H3,(H,25,28)
InChIKeyLTXDLEZXAPESAY-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309306) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309306
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H32N4O3S/c1-18-6-2-3-14-26(18)17-13-25-23(28)20-10-15-27(16-11-20)31(29,30)21-9-4-7-19-8-5-12-24-22(19)21/h4-5,7-9,12,18,20H,2-3,6,10-11,13-17H2,1H3,(H,25,28)
InChIKeyLTXDLEZXAPESAY-UHFFFAOYSA-N
XLogP2.63
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309306) is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LTXDLEZXAPESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-18-6-2-3-14-26(18)17-13-25-23(28)20-10-15-27(16-11-20)31(29,30)21-9-4-7-19-8-5-12-24-22(19)21/h4-5,7-9,12,18,20H,2-3,6,10-11,13-17H2,1H3,(H,25,28).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).