[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C19H25N5O2 — CID 56910306

IUPAC[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C19H25N5O2/c25-15-4-3-9-24(12-15)14-7-10-23(11-8-14)19(26)17-6-2-1-5-16(17)18-20-13-21-22-18/h1-2,5-6,13-15,25H,3-4,7-12H2,(H,20,21,22)
InChIKeyAAPHXZYXZYTVEO-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.53
Rot. Bonds3

About [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 56910306) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID56910306
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C19H25N5O2/c25-15-4-3-9-24(12-15)14-7-10-23(11-8-14)19(26)17-6-2-1-5-16(17)18-20-13-21-22-18/h1-2,5-6,13-15,25H,3-4,7-12H2,(H,20,21,22)
InChIKeyAAPHXZYXZYTVEO-UHFFFAOYSA-N
XLogP1.53
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 74245727
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 95709384
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155508898
(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718659
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97116810
1-[(3R,4S)-4-hydroxy-1-[2-(1H-1,2,4-triazol-5-yl)benzoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135095874
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 119067365
[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56877094
[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95556602
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 56910306) is [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1ncn[nH]1)N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is AAPHXZYXZYTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-15-4-3-9-24(12-15)14-7-10-23(11-8-14)19(26)17-6-2-1-5-16(17)18-20-13-21-22-18/h1-2,5-6,13-15,25H,3-4,7-12H2,(H,20,21,22).
What are the key properties of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56910306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).