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

C17H24ClN3O3 — CID 119333239

IUPACN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1C(=O)COc2ccccc21)C1CCCNC1
InChIInChI=1S/C17H23N3O3.ClH/c21-16-12-23-15-7-2-1-6-14(15)20(16)10-4-9-19-17(22)13-5-3-8-18-11-13;/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,22);1H
InChIKeyCDQGNAGMZRHUJU-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.34
Rot. Bonds5

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

N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119333239) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119333239
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1C(=O)COc2ccccc21)C1CCCNC1
InChIInChI=1S/C17H23N3O3.ClH/c21-16-12-23-15-7-2-1-6-14(15)20(16)10-4-9-19-17(22)13-5-3-8-18-11-13;/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,22);1H
InChIKeyCDQGNAGMZRHUJU-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.34
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-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119800553
3-amino-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800542
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]butanamide
CID 119800555
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
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-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride (CID 119333239) is N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1C(=O)COc2ccccc21)C1CCCNC1.
What is the InChIKey of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is CDQGNAGMZRHUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c21-16-12-23-15-7-2-1-6-14(15)20(16)10-4-9-19-17(22)13-5-3-8-18-11-13;/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,22);1H.
What are the key properties of N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.34, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119333239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).