4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid

C16H20N2O4 — CID 56870037

IUPAC4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
SMILESCOc1ccc(C2(C(=O)N3CCNC(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C16H20N2O4/c1-22-12-4-2-11(3-5-12)16(6-7-16)15(21)18-9-8-17-13(10-18)14(19)20/h2-5,13,17H,6-10H2,1H3,(H,19,20)
InChIKeyVSSCCKXZWYNOKK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.61
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid

4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid (PubChem CID 56870037) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
PubChem CID56870037
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
SMILESCOc1ccc(C2(C(=O)N3CCNC(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C16H20N2O4/c1-22-12-4-2-11(3-5-12)16(6-7-16)15(21)18-9-8-17-13(10-18)14(19)20/h2-5,13,17H,6-10H2,1H3,(H,19,20)
InChIKeyVSSCCKXZWYNOKK-UHFFFAOYSA-N
XLogP0.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 155498461
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(3S,4S)-3-hydroxy-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-4-propylpiperidine-4-carboxylic acid
CID 162628648
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
[1-(4-methoxyphenyl)cyclopropyl]-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 91831896

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid (CID 56870037) is 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid is COc1ccc(C2(C(=O)N3CCNC(C(=O)O)C3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid?
The InChIKey is VSSCCKXZWYNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-22-12-4-2-11(3-5-12)16(6-7-16)15(21)18-9-8-17-13(10-18)14(19)20/h2-5,13,17H,6-10H2,1H3,(H,19,20).
What are the key properties of 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid?
4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56870037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).