N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C17H24BrN3O4S — CID 22552799

IUPACN-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24BrN3O4S/c18-16-5-1-3-14(11-16)12-19-17(22)15-4-2-6-21(13-15)26(23,24)20-7-9-25-10-8-20/h1,3,5,11,15H,2,4,6-10,12-13H2,(H,19,22)
InChIKeyCJBACGQRRXRYQO-UHFFFAOYSA-N
MW446.37 g/mol
LogP1.35
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552799) has the molecular formula C17H24BrN3O4S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552799
Molecular FormulaC17H24BrN3O4S
Molecular Weight446.37 g/mol
Exact Mass445.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24BrN3O4S/c18-16-5-1-3-14(11-16)12-19-17(22)15-4-2-6-21(13-15)26(23,24)20-7-9-25-10-8-20/h1,3,5,11,15H,2,4,6-10,12-13H2,(H,19,22)
InChIKeyCJBACGQRRXRYQO-UHFFFAOYSA-N
XLogP1.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826
(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125075199
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-[(3-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 15998242
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3S)-1-(4-bromophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26015111

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552799) is N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1cccc(Br)c1)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CJBACGQRRXRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O4S/c18-16-5-1-3-14(11-16)12-19-17(22)15-4-2-6-21(13-15)26(23,24)20-7-9-25-10-8-20/h1,3,5,11,15H,2,4,6-10,12-13H2,(H,19,22).
What are the key properties of N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 446.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).