[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C15H20N6O — CID 129381722

IUPAC[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccnc(C(=O)N2CCCC[C@@H]2c2ncn[nH]2)c1
InChIInChI=1S/C15H20N6O/c1-20(2)11-6-7-16-12(9-11)15(22)21-8-4-3-5-13(21)14-17-10-18-19-14/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyMIVAMBKRDORAJW-CYBMUJFWSA-N
MW300.37 g/mol
LogP1.63
Rot. Bonds3

About [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129381722) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID129381722
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccnc(C(=O)N2CCCC[C@@H]2c2ncn[nH]2)c1
InChIInChI=1S/C15H20N6O/c1-20(2)11-6-7-16-12(9-11)15(22)21-8-4-3-5-13(21)14-17-10-18-19-14/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyMIVAMBKRDORAJW-CYBMUJFWSA-N
XLogP1.63
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
1,3-benzodioxol-5-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991531
2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 129398226
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487845
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487916
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 129381722) is [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CN(C)c1ccnc(C(=O)N2CCCC[C@@H]2c2ncn[nH]2)c1.
What is the InChIKey of [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MIVAMBKRDORAJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20(2)11-6-7-16-12(9-11)15(22)21-8-4-3-5-13(21)14-17-10-18-19-14/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129381722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).