[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone

C22H27N3O2 — CID 32770513

IUPAC[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-17-5-7-18(8-6-17)21(26)24-13-15-25(16-14-24)22(27)19-9-11-20(12-10-19)23(2)3/h5-12H,4,13-16H2,1-3H3
InChIKeyYEHMCVYDQSYTPW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.91
Rot. Bonds4

About [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone

[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 32770513) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID32770513
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-17-5-7-18(8-6-17)21(26)24-13-15-25(16-14-24)22(27)19-9-11-20(12-10-19)23(2)3/h5-12H,4,13-16H2,1-3H3
InChIKeyYEHMCVYDQSYTPW-UHFFFAOYSA-N
XLogP2.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone with MolForge

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Related Compounds

ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
1-[4-[4-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544487
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone (CID 32770513) is [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is YEHMCVYDQSYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-17-5-7-18(8-6-17)21(26)24-13-15-25(16-14-24)22(27)19-9-11-20(12-10-19)23(2)3/h5-12H,4,13-16H2,1-3H3.
What are the key properties of [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 32770513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).