4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine

C24H30N6O — CID 91381963

IUPAC4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESc1ccc(Cn2c(CN3CCOCC3)nnc2C2CCCCN2c2ccccn2)cc1
InChIInChI=1S/C24H30N6O/c1-2-8-20(9-3-1)18-30-23(19-28-14-16-31-17-15-28)26-27-24(30)21-10-5-7-13-29(21)22-11-4-6-12-25-22/h1-4,6,8-9,11-12,21H,5,7,10,13-19H2
InChIKeyNLQILYXUXAGQGW-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.29
Rot. Bonds6

About 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 91381963) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID91381963
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESc1ccc(Cn2c(CN3CCOCC3)nnc2C2CCCCN2c2ccccn2)cc1
InChIInChI=1S/C24H30N6O/c1-2-8-20(9-3-1)18-30-23(19-28-14-16-31-17-15-28)26-27-24(30)21-10-5-7-13-29(21)22-11-4-6-12-25-22/h1-4,6,8-9,11-12,21H,5,7,10,13-19H2
InChIKeyNLQILYXUXAGQGW-UHFFFAOYSA-N
XLogP3.29
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10001983
2-[4-[4-benzyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile;2-[4-[4-benzyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 87878936
2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10068937
4-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 70712761
4-[[4-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70766412
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
4-[2-[[4-benzyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26337294
4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70776646
4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72911931
[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
CID 96608736
1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 126440982

Frequently Asked Questions

What is the IUPAC name of 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 91381963) is 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine is c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCCCN2c2ccccn2)cc1.
What is the InChIKey of 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is NLQILYXUXAGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-2-8-20(9-3-1)18-30-23(19-28-14-16-31-17-15-28)26-27-24(30)21-10-5-7-13-29(21)22-11-4-6-12-25-22/h1-4,6,8-9,11-12,21H,5,7,10,13-19H2.
What are the key properties of 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 418.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 91381963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).