1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide

C21H28N6O3 — CID 45200195

IUPAC1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cncn1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C21H28N6O3/c28-20-6-5-18(14-26(20)8-7-25-9-11-30-12-10-25)21(29)23-13-17-3-1-2-4-19(17)27-16-22-15-24-27/h1-4,15-16,18H,5-14H2,(H,23,29)
InChIKeyLTMVFKQQIKVDJF-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.45
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide

1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 45200195) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID45200195
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cncn1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C21H28N6O3/c28-20-6-5-18(14-26(20)8-7-25-9-11-30-12-10-25)21(29)23-13-17-3-1-2-4-19(17)27-16-22-15-24-27/h1-4,15-16,18H,5-14H2,(H,23,29)
InChIKeyLTMVFKQQIKVDJF-UHFFFAOYSA-N
XLogP0.45
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(2-morpholin-4-ylethyl)-6-oxo-N-(2H-tetrazol-5-ylmethyl)piperidine-3-carboxamide
CID 97142337
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 72924482
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 26391870
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
(3S)-N-(2-imidazol-1-ylethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 97146221
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230
(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52528755
(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56718926
(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 28768875

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 45200195) is 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1-n1cncn1)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LTMVFKQQIKVDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c28-20-6-5-18(14-26(20)8-7-25-9-11-30-12-10-25)21(29)23-13-17-3-1-2-4-19(17)27-16-22-15-24-27/h1-4,15-16,18H,5-14H2,(H,23,29).
What are the key properties of 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45200195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).