2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

C19H24N2O6 — CID 120975160

IUPAC2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H24N2O6/c1-26-13-9-12(10-14(11-13)27-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(15)19(24)25/h9-11,15-16H,3-8H2,1-2H3,(H,24,25)
InChIKeyPHHZPUNIEBVVHB-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120975160) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120975160
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H24N2O6/c1-26-13-9-12(10-14(11-13)27-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(15)19(24)25/h9-11,15-16H,3-8H2,1-2H3,(H,24,25)
InChIKeyPHHZPUNIEBVVHB-UHFFFAOYSA-N
XLogP1.10
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119282011
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120975160) is 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is COc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is PHHZPUNIEBVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-26-13-9-12(10-14(11-13)27-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(15)19(24)25/h9-11,15-16H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).