1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one

C18H26N2O3 — CID 110709738

IUPAC1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1ccccc1C(=O)N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)16(21)13-19-9-11-20(12-10-19)17(22)14-7-5-6-8-15(14)23-4/h5-8H,9-13H2,1-4H3
InChIKeyQSBYFNOSEVRGHU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 110709738) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID110709738
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1ccccc1C(=O)N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)16(21)13-19-9-11-20(12-10-19)17(22)14-7-5-6-8-15(14)23-4/h5-8H,9-13H2,1-4H3
InChIKeyQSBYFNOSEVRGHU-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
CID 63336323
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (CID 110709738) is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one is COc1ccccc1C(=O)N1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is QSBYFNOSEVRGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)16(21)13-19-9-11-20(12-10-19)17(22)14-7-5-6-8-15(14)23-4/h5-8H,9-13H2,1-4H3.
What are the key properties of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.07, 4 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]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 110709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).