N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide

C16H20N6O2 — CID 108519242

IUPACN-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C(=O)Nn1cnnc1
InChIInChI=1S/C16H20N6O2/c23-15(16(24)20-22-11-17-18-12-22)19-14-6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,19,23)(H,20,24)
InChIKeyCRMUSEQJUIUTNW-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.13
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide

N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519242) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519242
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C(=O)Nn1cnnc1
InChIInChI=1S/C16H20N6O2/c23-15(16(24)20-22-11-17-18-12-22)19-14-6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,19,23)(H,20,24)
InChIKeyCRMUSEQJUIUTNW-UHFFFAOYSA-N
XLogP0.13
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
CID 108519062
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
CID 108509213
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride
CID 73335526

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide (CID 108519242) is N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)Nn1cnnc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is CRMUSEQJUIUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(16(24)20-22-11-17-18-12-22)19-14-6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,19,23)(H,20,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide?
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 328.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).