2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C21H25N5O — CID 12782345

IUPAC2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILES[N-]=[N+]=NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c22-24-23-17-21(27)26(19-9-5-2-6-10-19)20-12-15-25(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyRGZOOSYCWFJTNO-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.04
Rot. Bonds7

About 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 12782345) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID12782345
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILES[N-]=[N+]=NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c22-24-23-17-21(27)26(19-9-5-2-6-10-19)20-12-15-25(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyRGZOOSYCWFJTNO-UHFFFAOYSA-N
XLogP4.04
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 12782345) is 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is [N-]=[N+]=NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is RGZOOSYCWFJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c22-24-23-17-21(27)26(19-9-5-2-6-10-19)20-12-15-25(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2.
What are the key properties of 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 12782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).