1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one

C16H24N2O3 — CID 66645735

IUPAC1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one
SMILESCOCCCOc1ccccc1N1CC(C)(C)NCC1=O
InChIInChI=1S/C16H24N2O3/c1-16(2)12-18(15(19)11-17-16)13-7-4-5-8-14(13)21-10-6-9-20-3/h4-5,7-8,17H,6,9-12H2,1-3H3
InChIKeyKEGVBGANPFAKSJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.82
Rot. Bonds6

About 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one

1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one (PubChem CID 66645735) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one
PubChem CID66645735
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one
SMILESCOCCCOc1ccccc1N1CC(C)(C)NCC1=O
InChIInChI=1S/C16H24N2O3/c1-16(2)12-18(15(19)11-17-16)13-7-4-5-8-14(13)21-10-6-9-20-3/h4-5,7-8,17H,6,9-12H2,1-3H3
InChIKeyKEGVBGANPFAKSJ-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023693
1-(2-butoxyphenyl)piperazin-2-one
CID 70120248
1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one
CID 66645565
1-(4-fluoro-2-methylphenyl)-5,5-dimethylpiperazin-2-one
CID 66645523
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184
3-(2-phenylmethoxyphenyl)imidazolidin-4-one
CID 174547692
tert-butyl 4-[2-(3-methoxypropoxy)phenyl]-2,2-dimethylpiperazine-1-carboxylate
CID 66645627
S-[[1-[2-(2-methoxyethoxy)phenyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666774
(2S,4S,5S)-5-amino-4-hydroxy-6-[4-[2-(2-methoxyethoxy)phenyl]-2,2-dimethyl-5-oxopiperazin-1-yl]-2-propan-2-ylhexanoic acid
CID 69013437
3,3-dimethyl-1-(2-phenoxyethyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 82251725
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one (CID 66645735) is 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one is COCCCOc1ccccc1N1CC(C)(C)NCC1=O.
What is the InChIKey of 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one?
The InChIKey is KEGVBGANPFAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)12-18(15(19)11-17-16)13-7-4-5-8-14(13)21-10-6-9-20-3/h4-5,7-8,17H,6,9-12H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one?
1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 66645735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).