3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one

C17H26N4O2 — CID 128866340

IUPAC3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
SMILESCc1nccn1CC(=O)N1CCNC(=O)C1CC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-18-7-9-20(13)12-16(22)21-10-8-19-17(23)15(21)11-14-5-3-2-4-6-14/h7,9,14-15H,2-6,8,10-12H2,1H3,(H,19,23)
InChIKeyZUXDDZAZXYXFJR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.49
Rot. Bonds4

About 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one

3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one (PubChem CID 128866340) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
PubChem CID128866340
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
SMILESCc1nccn1CC(=O)N1CCNC(=O)C1CC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-18-7-9-20(13)12-16(22)21-10-8-19-17(23)15(21)11-14-5-3-2-4-6-14/h7,9,14-15H,2-6,8,10-12H2,1H3,(H,19,23)
InChIKeyZUXDDZAZXYXFJR-UHFFFAOYSA-N
XLogP1.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-2-one
CID 154770775
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 122120035
3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 128862754
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 128862816
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124966203
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
2-[4-(2-methylimidazol-1-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50970432
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one (CID 128866340) is 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one is Cc1nccn1CC(=O)N1CCNC(=O)C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one?
The InChIKey is ZUXDDZAZXYXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-18-7-9-20(13)12-16(22)21-10-8-19-17(23)15(21)11-14-5-3-2-4-6-14/h7,9,14-15H,2-6,8,10-12H2,1H3,(H,19,23).
What are the key properties of 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one?
3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 128866340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).