N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C21H22ClN3O3 — CID 10433145

IUPACN-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27/h1-8,18H,9-14H2,(H,23,26)
InChIKeyPDRIPQACFCLOHH-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.90
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10433145) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10433145
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27/h1-8,18H,9-14H2,(H,23,26)
InChIKeyPDRIPQACFCLOHH-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10433145) is N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is PDRIPQACFCLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27/h1-8,18H,9-14H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10433145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).