benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate

C22H28N4O5S — CID 70024698

IUPACbenzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H28N4O5S/c27-22(31-17-18-6-2-1-3-7-18)20-8-4-5-11-26(20)32(28,29)24-19-9-10-21(23-16-19)25-12-14-30-15-13-25/h1-3,6-7,9-10,16,20,24H,4-5,8,11-15,17H2
InChIKeyYCDKVFLOVDKWBE-UHFFFAOYSA-N
MW460.56 g/mol
LogP2.17
Rot. Bonds7

About benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate

benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate (PubChem CID 70024698) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
PubChem CID70024698
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Namebenzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H28N4O5S/c27-22(31-17-18-6-2-1-3-7-18)20-8-4-5-11-26(20)32(28,29)24-19-9-10-21(23-16-19)25-12-14-30-15-13-25/h1-3,6-7,9-10,16,20,24H,4-5,8,11-15,17H2
InChIKeyYCDKVFLOVDKWBE-UHFFFAOYSA-N
XLogP2.17
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 10232858
benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
CID 59893765
4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate
CID 18613547
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
CID 130196328
benzyl N-[(1S)-2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]carbamate
CID 168852131
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
benzyl 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperidine-2-carboxylate
CID 70127873
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The IUPAC name of benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate (CID 70024698) is benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate.
What is the SMILES notation for benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The canonical SMILES for benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate is O=C(OCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The InChIKey is YCDKVFLOVDKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c27-22(31-17-18-6-2-1-3-7-18)20-8-4-5-11-26(20)32(28,29)24-19-9-10-21(23-16-19)25-12-14-30-15-13-25/h1-3,6-7,9-10,16,20,24H,4-5,8,11-15,17H2.
What are the key properties of benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 70024698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).