1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

C16H20N2O3 — CID 62097275

IUPAC1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2(C(=O)O)CC2)C(c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c1-17-9-10-18(14(19)16(7-8-16)15(20)21)13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21)
InChIKeyKMQYUBSFIFNLIZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 62097275) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID62097275
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2(C(=O)O)CC2)C(c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c1-17-9-10-18(14(19)16(7-8-16)15(20)21)13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21)
InChIKeyKMQYUBSFIFNLIZ-UHFFFAOYSA-N
XLogP1.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 129376778
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 62097275) is 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is CN1CCN(C(=O)C2(C(=O)O)CC2)C(c2ccccc2)C1.
What is the InChIKey of 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is KMQYUBSFIFNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-9-10-18(14(19)16(7-8-16)15(20)21)13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21).
What are the key properties of 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62097275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).