4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide

C21H27N3O2 — CID 3062955

IUPAC4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide
SMILESNC(=O)C(CN1CCN(c2ccccc2)CC1)C(CO)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-21(26)19(20(16-25)17-7-3-1-4-8-17)15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2,(H2,22,26)
InChIKeyWBLUSVFZYPWFJT-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.69
Rot. Bonds7

About 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide

4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide (PubChem CID 3062955) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide
PubChem CID3062955
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide
SMILESNC(=O)C(CN1CCN(c2ccccc2)CC1)C(CO)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-21(26)19(20(16-25)17-7-3-1-4-8-17)15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2,(H2,22,26)
InChIKeyWBLUSVFZYPWFJT-UHFFFAOYSA-N
XLogP1.69
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide?
The IUPAC name of 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide (CID 3062955) is 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide?
The canonical SMILES for 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide is NC(=O)C(CN1CCN(c2ccccc2)CC1)C(CO)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide?
The InChIKey is WBLUSVFZYPWFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-21(26)19(20(16-25)17-7-3-1-4-8-17)15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2,(H2,22,26).
What are the key properties of 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide?
4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide is sourced from PubChem (CID 3062955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).