N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C22H25N5O2 — CID 71793141

IUPACN-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)NCc3ccccc3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H25N5O2/c1-25-22(29)27(19-10-6-3-7-11-19)20(24-25)18-12-14-26(15-13-18)21(28)23-16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H,23,28)
InChIKeyRYXVTQGROWFUMP-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71793141) has the molecular formula C22H25N5O2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71793141
Molecular FormulaC22H25N5O2
Molecular Weight391.47 g/mol
Exact Mass391.20
IUPAC NameN-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)NCc3ccccc3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H25N5O2/c1-25-22(29)27(19-10-6-3-7-11-19)20(24-25)18-12-14-26(15-13-18)21(28)23-16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H,23,28)
InChIKeyRYXVTQGROWFUMP-UHFFFAOYSA-N
XLogP2.66
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methylphenyl)-3-phenylurea
CID 1594702
2-(cyclopropylmethyl)-5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1473436
2,4-Dihydro-5-methyl-4-(4-methylphenyl)-2-((4-nitrophenyl)methyl)-3H-1,2,4-triazol-3-one
CID 3845247
3,6-dimethyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 10022543
3,6-dipropyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11305087
3,6-diethyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11395648
4-Benzylureido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 44586253
2,6-diphenyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,7H)-dione
CID 137659963
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809818
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299324
4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
CID 137299344
5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71793141) is N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1nc(C2CCN(C(=O)NCc3ccccc3)CC2)n(-c2ccccc2)c1=O.
What is the InChIKey of N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RYXVTQGROWFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25-22(29)27(19-10-6-3-7-11-19)20(24-25)18-12-14-26(15-13-18)21(28)23-16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H,23,28).
What are the key properties of N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71793141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).