N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C23H25N3O4S — CID 20876140

IUPACN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C23H25N3O4S/c1-30-20-10-2-6-17(14-20)15-25-23(27)19-9-5-13-26(16-19)31(28,29)21-11-3-7-18-8-4-12-24-22(18)21/h2-4,6-8,10-12,14,19H,5,9,13,15-16H2,1H3,(H,25,27)
InChIKeyIJEOCHOGLPZVPU-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.96
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20876140) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID20876140
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C23H25N3O4S/c1-30-20-10-2-6-17(14-20)15-25-23(27)19-9-5-13-26(16-19)31(28,29)21-11-3-7-18-8-4-12-24-22(18)21/h2-4,6-8,10-12,14,19H,5,9,13,15-16H2,1H3,(H,25,27)
InChIKeyIJEOCHOGLPZVPU-UHFFFAOYSA-N
XLogP2.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
(3S)-1-(4-bromophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26015111
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-[(3-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 15998242
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
N-[(3-methoxyphenyl)methyl]-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 46366103
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392756

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 20876140) is N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IJEOCHOGLPZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-20-10-2-6-17(14-20)15-25-23(27)19-9-5-13-26(16-19)31(28,29)21-11-3-7-18-8-4-12-24-22(18)21/h2-4,6-8,10-12,14,19H,5,9,13,15-16H2,1H3,(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20876140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).