phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate

C20H22N2O5 — CID 110365696

IUPACphenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O5/c1-25-17-12-15(13-18(14-17)26-2)19(23)21-8-10-22(11-9-21)20(24)27-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeyDBBWOCXGZGJTLK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.66
Rot. Bonds4

About phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate

phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate (PubChem CID 110365696) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
PubChem CID110365696
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namephenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O5/c1-25-17-12-15(13-18(14-17)26-2)19(23)21-8-10-22(11-9-21)20(24)27-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeyDBBWOCXGZGJTLK-UHFFFAOYSA-N
XLogP2.66
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
CID 108567662
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
CID 110803586
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
CID 110347064
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate (CID 110365696) is phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate is COc1cc(OC)cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1.
What is the InChIKey of phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate?
The InChIKey is DBBWOCXGZGJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-17-12-15(13-18(14-17)26-2)19(23)21-8-10-22(11-9-21)20(24)27-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate?
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110365696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).