N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide

C20H29N3O3 — CID 119800553

IUPACN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCCN1C(=O)COc2ccccc21)C1CCCNC1
InChIInChI=1S/C20H29N3O3/c1-15(16-6-4-9-21-13-16)12-19(24)22-10-5-11-23-17-7-2-3-8-18(17)26-14-20(23)25/h2-3,7-8,15-16,21H,4-6,9-14H2,1H3,(H,22,24)
InChIKeyFJYWDTBQASMFKY-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.94
Rot. Bonds7

About N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide

N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide (PubChem CID 119800553) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
PubChem CID119800553
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCCN1C(=O)COc2ccccc21)C1CCCNC1
InChIInChI=1S/C20H29N3O3/c1-15(16-6-4-9-21-13-16)12-19(24)22-10-5-11-23-17-7-2-3-8-18(17)26-14-20(23)25/h2-3,7-8,15-16,21H,4-6,9-14H2,1H3,(H,22,24)
InChIKeyFJYWDTBQASMFKY-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119333239
N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119779510
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119781418
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide (CID 119800553) is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCCN1C(=O)COc2ccccc21)C1CCCNC1.
What is the InChIKey of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide?
The InChIKey is FJYWDTBQASMFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(16-6-4-9-21-13-16)12-19(24)22-10-5-11-23-17-7-2-3-8-18(17)26-14-20(23)25/h2-3,7-8,15-16,21H,4-6,9-14H2,1H3,(H,22,24).
What are the key properties of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide?
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119800553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).