N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide

C17H23N3O3 — CID 119333214

IUPACN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCN1C(=O)COc2ccccc21)C1CCCCN1
InChIInChI=1S/C17H23N3O3/c21-16-12-23-15-8-2-1-7-14(15)20(16)11-5-10-19-17(22)13-6-3-4-9-18-13/h1-2,7-8,13,18H,3-6,9-12H2,(H,19,22)
InChIKeyHKQCTLLNCROSCW-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.06
Rot. Bonds5

About N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide

N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide (PubChem CID 119333214) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
PubChem CID119333214
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCN1C(=O)COc2ccccc21)C1CCCCN1
InChIInChI=1S/C17H23N3O3/c21-16-12-23-15-8-2-1-7-14(15)20(16)11-5-10-19-17(22)13-6-3-4-9-18-13/h1-2,7-8,13,18H,3-6,9-12H2,(H,19,22)
InChIKeyHKQCTLLNCROSCW-UHFFFAOYSA-N
XLogP1.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.06
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-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
3-amino-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800542
N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 4200810
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119800553
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]butanamide
CID 119800555
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111776470
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide (CID 119333214) is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide is O=C(NCCCN1C(=O)COc2ccccc21)C1CCCCN1.
What is the InChIKey of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide?
The InChIKey is HKQCTLLNCROSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16-12-23-15-8-2-1-7-14(15)20(16)11-5-10-19-17(22)13-6-3-4-9-18-13/h1-2,7-8,13,18H,3-6,9-12H2,(H,19,22).
What are the key properties of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide?
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.06, 5 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]piperidine-2-carboxamide is sourced from PubChem (CID 119333214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).