3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one

C15H24N4O2 — CID 154754201

IUPAC3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCNC(=O)C1C
InChIInChI=1S/C15H24N4O2/c1-11(2)14-16-7-10-18(14)9-5-13(20)19-8-4-6-17-15(21)12(19)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,21)
InChIKeyFSZTZHFPBLWBDH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds4

About 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one

3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one (PubChem CID 154754201) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
PubChem CID154754201
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCNC(=O)C1C
InChIInChI=1S/C15H24N4O2/c1-11(2)14-16-7-10-18(14)9-5-13(20)19-8-4-6-17-15(21)12(19)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,21)
InChIKeyFSZTZHFPBLWBDH-UHFFFAOYSA-N
XLogP1.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
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
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125008602
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 127246797
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120740568
(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965772
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120738779
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
CID 63607417
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 55219544
1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125004918

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one?
The IUPAC name of 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one (CID 154754201) is 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one.
What is the SMILES notation for 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one?
The canonical SMILES for 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one is CC(C)c1nccn1CCC(=O)N1CCCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one?
The InChIKey is FSZTZHFPBLWBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)14-16-7-10-18(14)9-5-13(20)19-8-4-6-17-15(21)12(19)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,21).
What are the key properties of 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one?
3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one is sourced from PubChem (CID 154754201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).