N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C23H26ClN3O3 — CID 16572641

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O
InChIInChI=1S/C23H26ClN3O3/c1-16-23(29)27(20-7-3-4-8-21(20)30-16)14-11-22(28)25-18-15-17(24)9-10-19(18)26-12-5-2-6-13-26/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,25,28)
InChIKeyNCHFUYUVZCQETB-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.47
Rot. Bonds5

About N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 16572641) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID16572641
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O
InChIInChI=1S/C23H26ClN3O3/c1-16-23(29)27(20-7-3-4-8-21(20)30-16)14-11-22(28)25-18-15-17(24)9-10-19(18)26-12-5-2-6-13-26/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,25,28)
InChIKeyNCHFUYUVZCQETB-UHFFFAOYSA-N
XLogP4.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51265149
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3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 16602922
N-(3-chloro-4-methylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55451332
N-(2-cyclopentylsulfanylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55615383
4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 51264814
(2R)-4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 27007130
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119618679
N-(2,4-dichlorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410074
N-[(4-chlorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 27660476
N-(2,4-dimethoxyphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 16572641) is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is CC1Oc2ccccc2N(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is NCHFUYUVZCQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16-23(29)27(20-7-3-4-8-21(20)30-16)14-11-22(28)25-18-15-17(24)9-10-19(18)26-12-5-2-6-13-26/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,25,28).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 427.93 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 16572641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).