4-(2-phenylpropanoyl)piperazine-1-carboxylic acid

C14H18N2O3 — CID 123978290

IUPAC4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
SMILESCC(C(=O)N1CCN(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-11(12-5-3-2-4-6-12)13(17)15-7-9-16(10-8-15)14(18)19/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeyGOCSHEPIZWTZKP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.61
Rot. Bonds2

About 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid

4-(2-phenylpropanoyl)piperazine-1-carboxylic acid (PubChem CID 123978290) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
PubChem CID123978290
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
SMILESCC(C(=O)N1CCN(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-11(12-5-3-2-4-6-12)13(17)15-7-9-16(10-8-15)14(18)19/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeyGOCSHEPIZWTZKP-UHFFFAOYSA-N
XLogP1.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one
CID 99855905
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 3151806
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 91904652
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid (CID 123978290) is 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid is CC(C(=O)N1CCN(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid?
The InChIKey is GOCSHEPIZWTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(12-5-3-2-4-6-12)13(17)15-7-9-16(10-8-15)14(18)19/h2-6,11H,7-10H2,1H3,(H,18,19).
What are the key properties of 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid?
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropanoyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 123978290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).