4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one

C19H24N4O2 — CID 96574232

IUPAC4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C[C@@H](C)n3ccnc3C)CC2=O)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-6-17(7-5-14)23-11-10-21(13-19(23)25)18(24)12-15(2)22-9-8-20-16(22)3/h4-9,15H,10-13H2,1-3H3/t15-/m1/s1
InChIKeyRNMDHXRAMYTWCT-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds4

About 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one

4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96574232) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID96574232
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C[C@@H](C)n3ccnc3C)CC2=O)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-6-17(7-5-14)23-11-10-21(13-19(23)25)18(24)12-15(2)22-9-8-20-16(22)3/h4-9,15H,10-13H2,1-3H3/t15-/m1/s1
InChIKeyRNMDHXRAMYTWCT-OAHLLOKOSA-N
XLogP2.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylimidazol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 82510754
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
(3S)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158470
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158473
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
(3R)-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 125176819
2,3-dimethyl-7-[(3S)-3-(2-methylimidazol-1-yl)butanoyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 95136861

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one (CID 96574232) is 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)C[C@@H](C)n3ccnc3C)CC2=O)cc1.
What is the InChIKey of 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is RNMDHXRAMYTWCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-4-6-17(7-5-14)23-11-10-21(13-19(23)25)18(24)12-15(2)22-9-8-20-16(22)3/h4-9,15H,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one?
4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96574232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).