[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone

C17H20N4O2 — CID 156517246

IUPAC[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ncnn2C2CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C17H20N4O2/c22-15-2-1-9-20(10-15)17(23)13-5-3-12(4-6-13)16-18-11-19-21(16)14-7-8-14/h3-6,11,14-15,22H,1-2,7-10H2
InChIKeyXSKUKENGRMJXER-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds3

About [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone

[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 156517246) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID156517246
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ncnn2C2CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C17H20N4O2/c22-15-2-1-9-20(10-15)17(23)13-5-3-12(4-6-13)16-18-11-19-21(16)14-7-8-14/h3-6,11,14-15,22H,1-2,7-10H2
InChIKeyXSKUKENGRMJXER-UHFFFAOYSA-N
XLogP1.88
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 156517246) is [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(-c2ncnn2C2CC2)cc1)N1CCCC(O)C1.
What is the InChIKey of [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is XSKUKENGRMJXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15-2-1-9-20(10-15)17(23)13-5-3-12(4-6-13)16-18-11-19-21(16)14-7-8-14/h3-6,11,14-15,22H,1-2,7-10H2.
What are the key properties of [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 156517246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).