4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide

C15H21N3O3 — CID 173259120

IUPAC4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c16-15(21)18-10-8-17(9-11-18)14(20)13(19)7-6-12-4-2-1-3-5-12/h1-5,13,19H,6-11H2,(H2,16,21)/t13-/m1/s1
InChIKeyMJIFOODXLWOIOL-CYBMUJFWSA-N
MW291.35 g/mol
LogP0.20
Rot. Bonds4

About 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide

4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide (PubChem CID 173259120) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
PubChem CID173259120
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c16-15(21)18-10-8-17(9-11-18)14(20)13(19)7-6-12-4-2-1-3-5-12/h1-5,13,19H,6-11H2,(H2,16,21)/t13-/m1/s1
InChIKeyMJIFOODXLWOIOL-CYBMUJFWSA-N
XLogP0.20
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
2-amino-3-hydroxy-5-phenylpent-1-en-1-one
CID 176525467
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
(2S)-2-amino-4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 104984171
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide (CID 173259120) is 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1.
What is the InChIKey of 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide?
The InChIKey is MJIFOODXLWOIOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(21)18-10-8-17(9-11-18)14(20)13(19)7-6-12-4-2-1-3-5-12/h1-5,13,19H,6-11H2,(H2,16,21)/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide?
4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 173259120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).