4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid

C14H22N4O5S — CID 56909166

IUPAC4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H22N4O5S/c1-12-15-4-7-18(12)14(13(19)20)2-5-16(6-3-14)24(21,22)17-8-10-23-11-9-17/h4,7H,2-3,5-6,8-11H2,1H3,(H,19,20)
InChIKeyGOPVOLLGEGRTKJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP-0.36
Rot. Bonds4

About 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid

4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 56909166) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID56909166
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H22N4O5S/c1-12-15-4-7-18(12)14(13(19)20)2-5-16(6-3-14)24(21,22)17-8-10-23-11-9-17/h4,7H,2-3,5-6,8-11H2,1H3,(H,19,20)
InChIKeyGOPVOLLGEGRTKJ-UHFFFAOYSA-N
XLogP-0.36
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56913872
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56883865
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 119181220
4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
CID 107161272
1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 95870233
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 57211832
4-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)sulfonylmorpholine
CID 165423500
3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
CID 72922447
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid (CID 56909166) is 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid is Cc1nccn1C1(C(=O)O)CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is GOPVOLLGEGRTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-12-15-4-7-18(12)14(13(19)20)2-5-16(6-3-14)24(21,22)17-8-10-23-11-9-17/h4,7H,2-3,5-6,8-11H2,1H3,(H,19,20).
What are the key properties of 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid?
4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56909166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).