4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one

C15H21N3O3 — CID 87029030

IUPAC4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one
SMILESCC(C)Oc1ccccc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H21N3O3/c1-11(2)21-13-6-4-3-5-12(13)17-9-15(20)18-8-7-16-14(19)10-18/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyDIRUESCUDYYDLD-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.84
Rot. Bonds5

About 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one

4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one (PubChem CID 87029030) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one
PubChem CID87029030
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one
SMILESCC(C)Oc1ccccc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H21N3O3/c1-11(2)21-13-6-4-3-5-12(13)17-9-15(20)18-8-7-16-14(19)10-18/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyDIRUESCUDYYDLD-UHFFFAOYSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one
CID 60536990
4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
CID 32895414
butyl 2-[3-oxo-1-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-yl]acetate
CID 54828740
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
CID 109004365
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one (CID 87029030) is 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one is CC(C)Oc1ccccc1NCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one?
The InChIKey is DIRUESCUDYYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)21-13-6-4-3-5-12(13)17-9-15(20)18-8-7-16-14(19)10-18/h3-6,11,17H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one?
4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one is sourced from PubChem (CID 87029030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).