[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H24N2O3 — CID 51162607

IUPAC[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1C
InChIInChI=1S/C18H24N2O3/c1-13-5-6-15(12-14(13)2)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h5-6,12,16H,3-4,7-11H2,1-2H3
InChIKeyACLOVNUXYOBJBY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.77
Rot. Bonds2

About [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51162607) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51162607
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1C
InChIInChI=1S/C18H24N2O3/c1-13-5-6-15(12-14(13)2)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h5-6,12,16H,3-4,7-11H2,1-2H3
InChIKeyACLOVNUXYOBJBY-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
CID 110801198
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
2-(3,4-dimethylphenoxy)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546629
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51162607) is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ACLOVNUXYOBJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-6-15(12-14(13)2)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h5-6,12,16H,3-4,7-11H2,1-2H3.
What are the key properties of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51162607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).