2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide

C14H22N4O2 — CID 97269942

IUPAC2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCC(C)C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)14(20)18-6-3-4-11(8-18)13-16-5-7-17(13)9-12(15)19/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyGUGWOLOLFXHCEY-NSHDSACASA-N
MW278.36 g/mol
LogP0.73
Rot. Bonds4

About 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97269942) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97269942
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCC(C)C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)14(20)18-6-3-4-11(8-18)13-16-5-7-17(13)9-12(15)19/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyGUGWOLOLFXHCEY-NSHDSACASA-N
XLogP0.73
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72837835
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72844240
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97277457

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97269942) is 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide is CC(C)C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1.
What is the InChIKey of 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is GUGWOLOLFXHCEY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)14(20)18-6-3-4-11(8-18)13-16-5-7-17(13)9-12(15)19/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H2,15,19)/t11-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97269942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).