N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

C19H26N4O2 — CID 22579615

IUPACN-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C19H26N4O2/c24-19(20-7-4-10-22-8-2-1-3-9-22)15-5-6-17-16(13-15)21-18-14-25-12-11-23(17)18/h5-6,13H,1-4,7-12,14H2,(H,20,24)
InChIKeyZQCYLXQXGOWTQH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (PubChem CID 22579615) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
PubChem CID22579615
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C19H26N4O2/c24-19(20-7-4-10-22-8-2-1-3-9-22)15-5-6-17-16(13-15)21-18-14-25-12-11-23(17)18/h5-6,13H,1-4,7-12,14H2,(H,20,24)
InChIKeyZQCYLXQXGOWTQH-UHFFFAOYSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 22579619
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[3-(4-methylpiperazin-1-yl)propyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 20888925
2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148789
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(4-pyrrolidin-1-ylbutyl)-2,1,3-benzothiadiazole-5-carboxamide;hydrochloride
CID 71782890
1-[(4-methoxyphenyl)methyl]-N-(3-piperidin-1-ylpropyl)benzotriazole-5-carboxamide
CID 53111224
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (CID 22579615) is N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(c1)nc1n2CCOC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The InChIKey is ZQCYLXQXGOWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(20-7-4-10-22-8-2-1-3-9-22)15-5-6-17-16(13-15)21-18-14-25-12-11-23(17)18/h5-6,13H,1-4,7-12,14H2,(H,20,24).
What are the key properties of N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 22579615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).