2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C17H20N2O5 — CID 119181198

IUPAC2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC3C(=O)O)CC2)c1
InChIInChI=1S/C17H20N2O5/c1-24-12-4-2-3-11(9-12)15(20)18-5-7-19(8-6-18)16(21)13-10-14(13)17(22)23/h2-4,9,13-14H,5-8,10H2,1H3,(H,22,23)
InChIKeyKVYZUFOJDCYLCO-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.70
Rot. Bonds4

About 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 119181198) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID119181198
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC3C(=O)O)CC2)c1
InChIInChI=1S/C17H20N2O5/c1-24-12-4-2-3-11(9-12)15(20)18-5-7-19(8-6-18)16(21)13-10-14(13)17(22)23/h2-4,9,13-14H,5-8,10H2,1H3,(H,22,23)
InChIKeyKVYZUFOJDCYLCO-UHFFFAOYSA-N
XLogP0.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 7344322
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
CID 120985092
(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727471

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 119181198) is 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is COc1cccc(C(=O)N2CCN(C(=O)C3CC3C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is KVYZUFOJDCYLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-24-12-4-2-3-11(9-12)15(20)18-5-7-19(8-6-18)16(21)13-10-14(13)17(22)23/h2-4,9,13-14H,5-8,10H2,1H3,(H,22,23).
What are the key properties of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119181198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).