phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate

C18H16Cl2N2O3 — CID 108567662

IUPACphenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-7-6-13(12-16(15)20)17(23)21-8-10-22(11-9-21)18(24)25-14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyGQRRVHDDKKHPAN-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.95
Rot. Bonds2

About phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate

phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate (PubChem CID 108567662) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
PubChem CID108567662
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Namephenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-7-6-13(12-16(15)20)17(23)21-8-10-22(11-9-21)18(24)25-14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyGQRRVHDDKKHPAN-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
CID 110347064
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate (CID 108567662) is phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate?
The InChIKey is GQRRVHDDKKHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-15-7-6-13(12-16(15)20)17(23)21-8-10-22(11-9-21)18(24)25-14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate?
phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate has a molecular weight of 379.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108567662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).