4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one

C19H27N3O3 — CID 118775809

IUPAC4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C19H27N3O3/c20-17(12-14-6-8-16(23)9-7-14)19(25)21-10-11-22(18(24)13-21)15-4-2-1-3-5-15/h6-9,15,17,23H,1-5,10-13,20H2/t17-/m0/s1
InChIKeyIPBUOYRXVOJFAG-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.27
Rot. Bonds4

About 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one

4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one (PubChem CID 118775809) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
PubChem CID118775809
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C19H27N3O3/c20-17(12-14-6-8-16(23)9-7-14)19(25)21-10-11-22(18(24)13-21)15-4-2-1-3-5-15/h6-9,15,17,23H,1-5,10-13,20H2/t17-/m0/s1
InChIKeyIPBUOYRXVOJFAG-KRWDZBQOSA-N
XLogP1.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 70745152
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 75495697
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 62230153
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one (CID 118775809) is 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one is N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one?
The InChIKey is IPBUOYRXVOJFAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-17(12-14-6-8-16(23)9-7-14)19(25)21-10-11-22(18(24)13-21)15-4-2-1-3-5-15/h6-9,15,17,23H,1-5,10-13,20H2/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one?
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 118775809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).