methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate

C12H18N4O5S — CID 20856458

IUPACmethyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C12H18N4O5S/c1-21-11(17)7-14-12(18)9-2-4-16(5-3-9)22(19,20)10-6-13-8-15-10/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,18)
InChIKeyWFWYNFYKNBQDCD-UHFFFAOYSA-N
MW330.37 g/mol
LogP-0.90
Rot. Bonds5

About methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate

methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate (PubChem CID 20856458) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate
PubChem CID20856458
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC Namemethyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C12H18N4O5S/c1-21-11(17)7-14-12(18)9-2-4-16(5-3-9)22(19,20)10-6-13-8-15-10/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,18)
InChIKeyWFWYNFYKNBQDCD-UHFFFAOYSA-N
XLogP-0.90
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 15998160
ethyl 1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}piperidine-3-carboxylate
CID 3244499
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
ethyl 1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 3245834
ethyl 4-({[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3245058
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 56229519
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 56256606
4-Fluoro-N-(2-methoxyethyl)-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 124079016
1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid
CID 3453931

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate (CID 20856458) is methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate?
The InChIKey is WFWYNFYKNBQDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c1-21-11(17)7-14-12(18)9-2-4-16(5-3-9)22(19,20)10-6-13-8-15-10/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,18).
What are the key properties of methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate?
methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate has a molecular weight of 330.37 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 20856458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).