2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

C18H26N6O2 — CID 72867056

IUPAC2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCCc1nccn1CCC(=O)N1CCCC(c2nccn2CC(N)=O)C1
InChIInChI=1S/C18H26N6O2/c1-2-16-20-6-10-22(16)9-5-17(26)23-8-3-4-14(12-23)18-21-7-11-24(18)13-15(19)25/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,25)
InChIKeyKZCOWCDJNNOKPW-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.92
Rot. Bonds7

About 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72867056) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72867056
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCCc1nccn1CCC(=O)N1CCCC(c2nccn2CC(N)=O)C1
InChIInChI=1S/C18H26N6O2/c1-2-16-20-6-10-22(16)9-5-17(26)23-8-3-4-14(12-23)18-21-7-11-24(18)13-15(19)25/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,25)
InChIKeyKZCOWCDJNNOKPW-UHFFFAOYSA-N
XLogP0.92
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97277457
2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110113154
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 72867056) is 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is CCc1nccn1CCC(=O)N1CCCC(c2nccn2CC(N)=O)C1.
What is the InChIKey of 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is KZCOWCDJNNOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-2-16-20-6-10-22(16)9-5-17(26)23-8-3-4-14(12-23)18-21-7-11-24(18)13-15(19)25/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,25).
What are the key properties of 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72867056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).