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

C15H18N2O4 — CID 60952583

IUPAC2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H18N2O4/c18-11-3-1-10(2-4-11)16-5-7-17(8-6-16)14(19)12-9-13(12)15(20)21/h1-4,12-13,18H,5-9H2,(H,20,21)
InChIKeyFJHZQEBMKARMJK-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.76
Rot. Bonds3

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

2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60952583) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60952583
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H18N2O4/c18-11-3-1-10(2-4-11)16-5-7-17(8-6-16)14(19)12-9-13(12)15(20)21/h1-4,12-13,18H,5-9H2,(H,20,21)
InChIKeyFJHZQEBMKARMJK-UHFFFAOYSA-N
XLogP0.76
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
2-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 54876371
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
(1S,6S)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 690857
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 60952583) is 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is FJHZQEBMKARMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-3-1-10(2-4-11)16-5-7-17(8-6-16)14(19)12-9-13(12)15(20)21/h1-4,12-13,18H,5-9H2,(H,20,21).
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60952583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).