1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide

C15H24N4O3S — CID 72922739

IUPAC1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCCSc2nccn2C)CC1
InChIInChI=1S/C15H24N4O3S/c1-18-9-5-17-15(18)23-10-6-16-14(21)12-3-7-19(8-4-12)13(20)11-22-2/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,16,21)
InChIKeyGXCUNZJWWCDFHI-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.51
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide

1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide (PubChem CID 72922739) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide
PubChem CID72922739
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCCSc2nccn2C)CC1
InChIInChI=1S/C15H24N4O3S/c1-18-9-5-17-15(18)23-10-6-16-14(21)12-3-7-19(8-4-12)13(20)11-22-2/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,16,21)
InChIKeyGXCUNZJWWCDFHI-UHFFFAOYSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
1-cyclopropyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-oxopyrrolidine-3-carboxamide
CID 50984090
(3R)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40971950
1-(2-methoxyacetyl)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 72863250
2-(1-methylimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 4064035
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 91843779
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55839021
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895551
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72898570

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide (CID 72922739) is 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NCCSc2nccn2C)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide?
The InChIKey is GXCUNZJWWCDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18-9-5-17-15(18)23-10-6-16-14(21)12-3-7-19(8-4-12)13(20)11-22-2/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,16,21).
What are the key properties of 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide?
1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72922739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).