N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

C22H25Cl2N3O3 — CID 10456393

IUPACN-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(Cl)cc3)CC1)C(=O)OC2.Cl
InChIInChI=1S/C22H24ClN3O3.ClH/c1-15-3-2-4-16-14-29-22(28)26(21(15)16)19-9-11-25(12-10-19)13-20(27)24-18-7-5-17(23)6-8-18;/h2-8,19H,9-14H2,1H3,(H,24,27);1H
InChIKeyDHXXXWJKLNKQOV-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.63
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 10456393) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID10456393
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(Cl)cc3)CC1)C(=O)OC2.Cl
InChIInChI=1S/C22H24ClN3O3.ClH/c1-15-3-2-4-16-14-29-22(28)26(21(15)16)19-9-11-25(12-10-19)13-20(27)24-18-7-5-17(23)6-8-18;/h2-8,19H,9-14H2,1H3,(H,24,27);1H
InChIKeyDHXXXWJKLNKQOV-UHFFFAOYSA-N
XLogP4.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.63
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-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (CID 10456393) is N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(Cl)cc3)CC1)C(=O)OC2.Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is DHXXXWJKLNKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3.ClH/c1-15-3-2-4-16-14-29-22(28)26(21(15)16)19-9-11-25(12-10-19)13-20(27)24-18-7-5-17(23)6-8-18;/h2-8,19H,9-14H2,1H3,(H,24,27);1H.
What are the key properties of N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 450.37 g/mol, XLogP of 4.63, 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-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 10456393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).