(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one

C18H26N2O3 — CID 94795992

IUPAC(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC)OC)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-4-14-6-8-15(9-7-14)17(21)19-10-12-20(13-11-19)18(22)16(5-2)23-3/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m1/s1
InChIKeyMEENFOZWABCTCK-MRXNPFEDSA-N
MW318.42 g/mol
LogP1.96
Rot. Bonds5

About (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one

(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one (PubChem CID 94795992) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one
PubChem CID94795992
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC)OC)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-4-14-6-8-15(9-7-14)17(21)19-10-12-20(13-11-19)18(22)16(5-2)23-3/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m1/s1
InChIKeyMEENFOZWABCTCK-MRXNPFEDSA-N
XLogP1.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119730005
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
4-[[4-[(2R)-2-methoxybutanoyl]piperazin-1-yl]methyl]benzonitrile
CID 95589691
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one?
The IUPAC name of (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one (CID 94795992) is (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one.
What is the SMILES notation for (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one?
The canonical SMILES for (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one is CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC)OC)CC2)cc1.
What is the InChIKey of (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one?
The InChIKey is MEENFOZWABCTCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-14-6-8-15(9-7-14)17(21)19-10-12-20(13-11-19)18(22)16(5-2)23-3/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one?
(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one is sourced from PubChem (CID 94795992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).