[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H22N6O — CID 86271311

IUPAC[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H22N6O/c1-15-17(24-19-10-4-5-11-21-19)8-6-14-25(15)20(27)16-7-2-3-9-18(16)26-22-12-13-23-26/h2-5,7,9-13,15,17H,6,8,14H2,1H3,(H,21,24)/t15-,17+/m0/s1
InChIKeyJCBVNBPESCCKAS-DOTOQJQBSA-N
MW362.44 g/mol
LogP2.77
Rot. Bonds4

About [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 86271311) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID86271311
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H22N6O/c1-15-17(24-19-10-4-5-11-21-19)8-6-14-25(15)20(27)16-7-2-3-9-18(16)26-22-12-13-23-26/h2-5,7,9-13,15,17H,6,8,14H2,1H3,(H,21,24)/t15-,17+/m0/s1
InChIKeyJCBVNBPESCCKAS-DOTOQJQBSA-N
XLogP2.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 86271311) is [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is JCBVNBPESCCKAS-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-17(24-19-10-4-5-11-21-19)8-6-14-25(15)20(27)16-7-2-3-9-18(16)26-22-12-13-23-26/h2-5,7,9-13,15,17H,6,8,14H2,1H3,(H,21,24)/t15-,17+/m0/s1.
What are the key properties of [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 86271311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).