ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate

C16H23N3O3 — CID 35508651

IUPACethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-4-22-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)17(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyZWUVKVSWQUZIPL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.67
Rot. Bonds3

About ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 35508651) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
PubChem CID35508651
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-4-22-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)17(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyZWUVKVSWQUZIPL-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
ethyl 4-[[4-(dimethylamino)phenyl]carbamothioyl]piperazine-1-carboxylate
CID 23827878
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate (CID 35508651) is ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate?
The InChIKey is ZWUVKVSWQUZIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-22-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)17(2)3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 35508651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).