N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide

C18H26N5O2+ — CID 7443262

IUPACN-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
SMILESC[C@@H](c1ccccc1)n1cc(C(=O)NCCC[NH+]2CCOCC2)nn1
InChIInChI=1S/C18H25N5O2/c1-15(16-6-3-2-4-7-16)23-14-17(20-21-23)18(24)19-8-5-9-22-10-12-25-13-11-22/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,24)/p+1/t15-/m0/s1
InChIKeyNGJGYOPKGSEBTP-HNNXBMFYSA-O
MW344.44 g/mol
LogP-0.08
Rot. Bonds7

About N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide

N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide (PubChem CID 7443262) has the molecular formula C18H26N5O2+ and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
PubChem CID7443262
Molecular FormulaC18H26N5O2+
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
SMILESC[C@@H](c1ccccc1)n1cc(C(=O)NCCC[NH+]2CCOCC2)nn1
InChIInChI=1S/C18H25N5O2/c1-15(16-6-3-2-4-7-16)23-14-17(20-21-23)18(24)19-8-5-9-22-10-12-25-13-11-22/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,24)/p+1/t15-/m0/s1
InChIKeyNGJGYOPKGSEBTP-HNNXBMFYSA-O
XLogP-0.08
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
CID 7442853
1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-phenylethyl]thiourea
CID 9231849
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-[1-(3-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 110218991
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101
1-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443036
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443025
1-[1-(2-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 3231011

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide (CID 7443262) is N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide is C[C@@H](c1ccccc1)n1cc(C(=O)NCCC[NH+]2CCOCC2)nn1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide?
The InChIKey is NGJGYOPKGSEBTP-HNNXBMFYSA-O. The full InChI is InChI=1S/C18H25N5O2/c1-15(16-6-3-2-4-7-16)23-14-17(20-21-23)18(24)19-8-5-9-22-10-12-25-13-11-22/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,24)/p+1/t15-/m0/s1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide?
N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide is sourced from PubChem (CID 7443262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).