N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C23H27N3O3 — CID 55714852

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1CCCN(Cc2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-17-5-4-12-25(13-17)14-18-8-10-19(11-9-18)24-22(27)15-26-20-6-2-3-7-21(20)29-16-23(26)28/h2-3,6-11,17H,4-5,12-16H2,1H3,(H,24,27)
InChIKeyIUONIHAHZNEROC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 55714852) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID55714852
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1CCCN(Cc2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-17-5-4-12-25(13-17)14-18-8-10-19(11-9-18)24-22(27)15-26-20-6-2-3-7-21(20)29-16-23(26)28/h2-3,6-11,17H,4-5,12-16H2,1H3,(H,24,27)
InChIKeyIUONIHAHZNEROC-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46473889
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8559073
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55858175
5-bromo-N-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55841182
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26898570
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 56562998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 55714852) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1CCCN(Cc2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is IUONIHAHZNEROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-5-4-12-25(13-17)14-18-8-10-19(11-9-18)24-22(27)15-26-20-6-2-3-7-21(20)29-16-23(26)28/h2-3,6-11,17H,4-5,12-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 55714852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).