2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C23H27N5O — CID 10068937

IUPAC2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1ccc(Cn2c(C3CCN(c4ccccn4)CC3)nnc2C2CCCO2)cc1
InChIInChI=1S/C23H27N5O/c1-2-7-18(8-3-1)17-28-22(25-26-23(28)20-9-6-16-29-20)19-11-14-27(15-12-19)21-10-4-5-13-24-21/h1-5,7-8,10,13,19-20H,6,9,11-12,14-17H2
InChIKeyBSQWLTVYTMKWNV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.96
Rot. Bonds5

About 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 10068937) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID10068937
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1ccc(Cn2c(C3CCN(c4ccccn4)CC3)nnc2C2CCCO2)cc1
InChIInChI=1S/C23H27N5O/c1-2-7-18(8-3-1)17-28-22(25-26-23(28)20-9-6-16-29-20)19-11-14-27(15-12-19)21-10-4-5-13-24-21/h1-5,7-8,10,13,19-20H,6,9,11-12,14-17H2
InChIKeyBSQWLTVYTMKWNV-UHFFFAOYSA-N
XLogP3.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine with MolForge

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Related Compounds

2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10001983
4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 91381963
(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 56833560
3-(1-pyridin-2-ylpiperidin-4-yl)-8-oxa-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaene
CID 21064011
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
4-[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 45230266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 10068937) is 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is c1ccc(Cn2c(C3CCN(c4ccccn4)CC3)nnc2C2CCCO2)cc1.
What is the InChIKey of 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is BSQWLTVYTMKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-7-18(8-3-1)17-28-22(25-26-23(28)20-9-6-16-29-20)19-11-14-27(15-12-19)21-10-4-5-13-24-21/h1-5,7-8,10,13,19-20H,6,9,11-12,14-17H2.
What are the key properties of 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 389.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 10068937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).