cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C15H16N2O4 — CID 125119958

IUPACcis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C1NCCN(C(=O)[C@H]2C[C@H]2C(=O)O)[C@H]1c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-13-12(9-4-2-1-3-5-9)17(7-6-16-13)14(19)10-8-11(10)15(20)21/h1-5,10-12H,6-8H2,(H,16,18)(H,20,21)/t10-,11+,12-/m0/s1
InChIKeyYWVMAJZHGGGKQQ-TUAOUCFPSA-N
MW288.30 g/mol
LogP0.41
Rot. Bonds3

About cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 125119958) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID125119958
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namecis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C1NCCN(C(=O)[C@H]2C[C@H]2C(=O)O)[C@H]1c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-13-12(9-4-2-1-3-5-9)17(7-6-16-13)14(19)10-8-11(10)15(20)21/h1-5,10-12H,6-8H2,(H,16,18)(H,20,21)/t10-,11+,12-/m0/s1
InChIKeyYWVMAJZHGGGKQQ-TUAOUCFPSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one
CID 166276194
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
CID 47089753
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
CID 126802300
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95152464
3-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 97081449

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 125119958) is cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C1NCCN(C(=O)[C@H]2C[C@H]2C(=O)O)[C@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is YWVMAJZHGGGKQQ-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-12(9-4-2-1-3-5-9)17(7-6-16-13)14(19)10-8-11(10)15(20)21/h1-5,10-12H,6-8H2,(H,16,18)(H,20,21)/t10-,11+,12-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125119958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).