2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride

C21H24ClN3O3 — CID 10341022

IUPAC2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N3O3.ClH/c25-20(22-17-7-2-1-3-8-17)14-23-12-10-18(11-13-23)24-19-9-5-4-6-16(19)15-27-21(24)26;/h1-9,18H,10-15H2,(H,22,25);1H
InChIKeyDDNAXUSZTLNOFG-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride

2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride (PubChem CID 10341022) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
PubChem CID10341022
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N3O3.ClH/c25-20(22-17-7-2-1-3-8-17)14-23-12-10-18(11-13-23)24-19-9-5-4-6-16(19)15-27-21(24)26;/h1-9,18H,10-15H2,(H,22,25);1H
InChIKeyDDNAXUSZTLNOFG-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride (CID 10341022) is 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride is Cl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The InChIKey is DDNAXUSZTLNOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c25-20(22-17-7-2-1-3-8-17)14-23-12-10-18(11-13-23)24-19-9-5-4-6-16(19)15-27-21(24)26;/h1-9,18H,10-15H2,(H,22,25);1H.
What are the key properties of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 10341022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).