2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide

C21H26ClN3O2 — CID 3062959

IUPAC2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide
SMILESNC(=O)C(CN1CCN(c2cccc(Cl)c2)CC1)C(CO)c1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-17-7-4-8-18(13-17)25-11-9-24(10-12-25)14-19(21(23)27)20(15-26)16-5-2-1-3-6-16/h1-8,13,19-20,26H,9-12,14-15H2,(H2,23,27)
InChIKeyRADZGTQXNKSAHI-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.34
Rot. Bonds7

About 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide (PubChem CID 3062959) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide
PubChem CID3062959
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide
SMILESNC(=O)C(CN1CCN(c2cccc(Cl)c2)CC1)C(CO)c1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-17-7-4-8-18(13-17)25-11-9-24(10-12-25)14-19(21(23)27)20(15-26)16-5-2-1-3-6-16/h1-8,13,19-20,26H,9-12,14-15H2,(H2,23,27)
InChIKeyRADZGTQXNKSAHI-UHFFFAOYSA-N
XLogP2.34
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide (CID 3062959) is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide is NC(=O)C(CN1CCN(c2cccc(Cl)c2)CC1)C(CO)c1ccccc1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide?
The InChIKey is RADZGTQXNKSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-17-7-4-8-18(13-17)25-11-9-24(10-12-25)14-19(21(23)27)20(15-26)16-5-2-1-3-6-16/h1-8,13,19-20,26H,9-12,14-15H2,(H2,23,27).
What are the key properties of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide?
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide has a molecular weight of 387.91 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 3062959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).