1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one

C22H26N2O4 — CID 108533628

IUPAC1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-20-11-6-5-10-19(20)22(26)24-15-13-23(14-16-24)21(25)12-7-17-28-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyLZTVQZQOSSLAFV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.84
Rot. Bonds7

About 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one (PubChem CID 108533628) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
PubChem CID108533628
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-20-11-6-5-10-19(20)22(26)24-15-13-23(14-16-24)21(25)12-7-17-28-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyLZTVQZQOSSLAFV-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
4-phenoxy-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 108536244
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
1-[4-(2-bromobenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534152
2-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108533634
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one (CID 108533628) is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one is COc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is LZTVQZQOSSLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-20-11-6-5-10-19(20)22(26)24-15-13-23(14-16-24)21(25)12-7-17-28-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3.
What are the key properties of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one?
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 382.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 108533628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).