2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide

C23H25N3O2 — CID 31252685

IUPAC2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22-11-10-18-6-4-5-9-20(18)21(22)16-25-12-14-26(15-13-25)17-23(28)24-19-7-2-1-3-8-19/h1-11,27H,12-17H2,(H,24,28)
InChIKeyBVEYNJAKSMHHQO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31252685) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31252685
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22-11-10-18-6-4-5-9-20(18)21(22)16-25-12-14-26(15-13-25)17-23(28)24-19-7-2-1-3-8-19/h1-11,27H,12-17H2,(H,24,28)
InChIKeyBVEYNJAKSMHHQO-UHFFFAOYSA-N
XLogP3.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide
CID 9245423
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
3-amino-1-[(2-hydroxynaphthalen-1-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107321075
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 31252685) is 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is BVEYNJAKSMHHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-11-10-18-6-4-5-9-20(18)21(22)16-25-12-14-26(15-13-25)17-23(28)24-19-7-2-1-3-8-19/h1-11,27H,12-17H2,(H,24,28).
What are the key properties of 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31252685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).