(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone

C18H18N6O — CID 136558756

IUPAC(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2ccnn2)cc1)N1CCCCC1c1ncccn1
InChIInChI=1S/C18H18N6O/c25-18(14-5-7-15(8-6-14)24-13-11-21-22-24)23-12-2-1-4-16(23)17-19-9-3-10-20-17/h3,5-11,13,16H,1-2,4,12H2
InChIKeySEKAEBAUEIFTPE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds3

About (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone

(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone (PubChem CID 136558756) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone
PubChem CID136558756
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2ccnn2)cc1)N1CCCCC1c1ncccn1
InChIInChI=1S/C18H18N6O/c25-18(14-5-7-15(8-6-14)24-13-11-21-22-24)23-12-2-1-4-16(23)17-19-9-3-10-20-17/h3,5-11,13,16H,1-2,4,12H2
InChIKeySEKAEBAUEIFTPE-UHFFFAOYSA-N
XLogP2.42
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(triazol-1-yl)phenyl]methanone
CID 174915076
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678961
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(triazol-1-yl)phenyl]azepane-1-carboxamide
CID 86771220
1-[4-(triazol-1-yl)phenyl]prop-2-yn-1-one
CID 141083827
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974

Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone?
The IUPAC name of (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone (CID 136558756) is (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2ccnn2)cc1)N1CCCCC1c1ncccn1.
What is the InChIKey of (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone?
The InChIKey is SEKAEBAUEIFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(14-5-7-15(8-6-14)24-13-11-21-22-24)23-12-2-1-4-16(23)17-19-9-3-10-20-17/h3,5-11,13,16H,1-2,4,12H2.
What are the key properties of (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone?
(2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone has a molecular weight of 334.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-2-ylpiperidin-1-yl)-[4-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 136558756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).