methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate

C14H16Cl2N2O4 — CID 110803307

IUPACmethyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2OC)CC1
InChIInChI=1S/C14H16Cl2N2O4/c1-21-12-10(7-9(15)8-11(12)16)13(19)17-3-5-18(6-4-17)14(20)22-2/h7-8H,3-6H2,1-2H3
InChIKeyLLHCKVHFTBXVBS-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.53
Rot. Bonds2

About methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate

methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate (PubChem CID 110803307) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
PubChem CID110803307
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Namemethyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2OC)CC1
InChIInChI=1S/C14H16Cl2N2O4/c1-21-12-10(7-9(15)8-11(12)16)13(19)17-3-5-18(6-4-17)14(20)22-2/h7-8H,3-6H2,1-2H3
InChIKeyLLHCKVHFTBXVBS-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800255
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
methyl 4-(2,5-dichloro-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808771
(5-tert-butyl-3-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882723
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 45044872
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
3,5-dichloro-2-methoxy-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide
CID 17112069
2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid
CID 28671927
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate (CID 110803307) is methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2OC)CC1.
What is the InChIKey of methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate?
The InChIKey is LLHCKVHFTBXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-21-12-10(7-9(15)8-11(12)16)13(19)17-3-5-18(6-4-17)14(20)22-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate?
methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate has a molecular weight of 347.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).