5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide

C23H27N5O3 — CID 4605472

IUPAC5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OCC(O)CN1CCCCC1
InChIInChI=1S/C23H27N5O3/c29-20(16-27-14-8-3-9-15-27)17-31-23-21(22(30)24-18-10-4-1-5-11-18)25-26-28(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H,24,30)
InChIKeyZPTZWGUKROOLTJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.75
Rot. Bonds8

About 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide

5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide (PubChem CID 4605472) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide
PubChem CID4605472
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OCC(O)CN1CCCCC1
InChIInChI=1S/C23H27N5O3/c29-20(16-27-14-8-3-9-15-27)17-31-23-21(22(30)24-18-10-4-1-5-11-18)25-26-28(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H,24,30)
InChIKeyZPTZWGUKROOLTJ-UHFFFAOYSA-N
XLogP2.75
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
CID 56976603
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
(2-hydroxy-3-piperidin-1-ylpropyl) N-(2,4,6-trimethylphenyl)carbamate;phenylcarbamic acid;hydrochloride
CID 24836601
1-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 70682154
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-phenylacetamide
CID 46512603
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide?
The IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide (CID 4605472) is 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide?
The canonical SMILES for 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide is O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OCC(O)CN1CCCCC1.
What is the InChIKey of 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide?
The InChIKey is ZPTZWGUKROOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c29-20(16-27-14-8-3-9-15-27)17-31-23-21(22(30)24-18-10-4-1-5-11-18)25-26-28(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H,24,30).
What are the key properties of 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide?
5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 4605472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).