N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C25H27N3O2 — CID 2125905

IUPACN-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-23-14-8-7-13-22(23)28-17-15-27(16-18-28)19-24(30)26-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25,29H,15-19H2,(H,26,30)
InChIKeyRQGAICTWROEQES-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.42
Rot. Bonds6

About N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2125905) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2125905
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-23-14-8-7-13-22(23)28-17-15-27(16-18-28)19-24(30)26-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25,29H,15-19H2,(H,26,30)
InChIKeyRQGAICTWROEQES-UHFFFAOYSA-N
XLogP3.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2125905) is N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2O)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is RQGAICTWROEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-23-14-8-7-13-22(23)28-17-15-27(16-18-28)19-24(30)26-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25,29H,15-19H2,(H,26,30).
What are the key properties of N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2125905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).