N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide

C23H25Cl2N3O3 — CID 43037959

IUPACN-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
SMILESO=C(CCN1CC(C(=O)N2CCCCC2)Oc2ccccc21)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H25Cl2N3O3/c24-16-7-6-8-17(25)22(16)26-21(29)11-14-28-15-20(23(30)27-12-4-1-5-13-27)31-19-10-3-2-9-18(19)28/h2-3,6-10,20H,1,4-5,11-15H2,(H,26,29)
InChIKeyQZHKQBGARBPCQJ-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.60
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide

N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide (PubChem CID 43037959) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
PubChem CID43037959
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC NameN-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
SMILESO=C(CCN1CC(C(=O)N2CCCCC2)Oc2ccccc21)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H25Cl2N3O3/c24-16-7-6-8-17(25)22(16)26-21(29)11-14-28-15-20(23(30)27-12-4-1-5-13-27)31-19-10-3-2-9-18(19)28/h2-3,6-10,20H,1,4-5,11-15H2,(H,26,29)
InChIKeyQZHKQBGARBPCQJ-UHFFFAOYSA-N
XLogP4.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
CID 43037962
N-(2,3-dichlorophenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25360457
N-(2,6-diethylphenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668563
N-(2-chloro-4,6-dimethylphenyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25392602
N-[1-(2-chlorophenyl)ethyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46647086
N-naphthalen-1-yl-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 41189289
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46631554
2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46615381
N-[3-(hydroxyamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994892
N-[3-(methylamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994929
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668548
2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25360324

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide (CID 43037959) is N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide is O=C(CCN1CC(C(=O)N2CCCCC2)Oc2ccccc21)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?
The InChIKey is QZHKQBGARBPCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c24-16-7-6-8-17(25)22(16)26-21(29)11-14-28-15-20(23(30)27-12-4-1-5-13-27)31-19-10-3-2-9-18(19)28/h2-3,6-10,20H,1,4-5,11-15H2,(H,26,29).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide has a molecular weight of 462.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide is sourced from PubChem (CID 43037959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).