[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone

C16H24N2O3 — CID 124589051

IUPAC[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1cccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)17-12)16(19)14-5-4-6-15(9-14)21-8-7-20-3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyCOBLUCUFNQSCHA-STQMWFEESA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds5

About [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone (PubChem CID 124589051) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
PubChem CID124589051
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1cccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)17-12)16(19)14-5-4-6-15(9-14)21-8-7-20-3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyCOBLUCUFNQSCHA-STQMWFEESA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
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

(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 126818930
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 120657701
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
(3S)-1-[3-(2-methoxyethoxy)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149673
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone (CID 124589051) is [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone is COCCOc1cccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is COBLUCUFNQSCHA-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)17-12)16(19)14-5-4-6-15(9-14)21-8-7-20-3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 124589051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).