(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C17H22N4O2 — CID 154802849

IUPAC(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCCCC1(O)CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-7-17(23)8-10-20(11-9-17)16(22)14-3-5-15(6-4-14)21-13-18-12-19-21/h3-6,12-13,23H,2,7-11H2,1H3
InChIKeyXYRYNUHWQCNYKG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.03
Rot. Bonds4

About (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone

(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 154802849) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID154802849
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCCCC1(O)CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-7-17(23)8-10-20(11-9-17)16(22)14-3-5-15(6-4-14)21-13-18-12-19-21/h3-6,12-13,23H,2,7-11H2,1H3
InChIKeyXYRYNUHWQCNYKG-UHFFFAOYSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 35371042
[4-[2-aminoethyl(methyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 23285102
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46511091
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
[4-(4-nitrophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 26781797
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
4-(4-ethyl-4-hydroxypiperidine-1-carbonyl)benzamide
CID 119138253
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119467085
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503
[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124841013
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 154802849) is (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone is CCCC1(O)CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is XYRYNUHWQCNYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-7-17(23)8-10-20(11-9-17)16(22)14-3-5-15(6-4-14)21-13-18-12-19-21/h3-6,12-13,23H,2,7-11H2,1H3.
What are the key properties of (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 154802849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).