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

C16H19N5O2 — CID 75461103

IUPAC1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2nncn2-c2ccccc2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-20-8-7-12(9-15(20)22)16(23)17-10-14-19-18-11-21(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,23)
InChIKeyQASWLJPHJLSTIX-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.75
Rot. Bonds4

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

1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 75461103) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID75461103
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2nncn2-c2ccccc2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-20-8-7-12(9-15(20)22)16(23)17-10-14-19-18-11-21(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,23)
InChIKeyQASWLJPHJLSTIX-UHFFFAOYSA-N
XLogP0.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 120622970
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
methyl 1-[N'-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254453
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 129399614
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119291914
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 75461152
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728201
(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113494
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide (CID 75461103) is 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide is CN1CCC(C(=O)NCc2nncn2-c2ccccc2)CC1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QASWLJPHJLSTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-8-7-12(9-15(20)22)16(23)17-10-14-19-18-11-21(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,23).
What are the key properties of 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 75461103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).