[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone

C24H26N6O2 — CID 118320054

IUPAC[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(-n2nccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nc2ccccc2o1
InChIInChI=1S/C24H26N6O2/c1-16-8-6-14-29(20(16)15-25-24-28-18-9-3-4-11-21(18)32-24)23(31)22-17(2)7-5-10-19(22)30-26-12-13-27-30/h3-5,7,9-13,16,20H,6,8,14-15H2,1-2H3,(H,25,28)/t16-,20-/m1/s1
InChIKeyRYAVRCVAHHLVRF-OXQOHEQNSA-N
MW430.51 g/mol
LogP4.07
Rot. Bonds5

About [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone

[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone (PubChem CID 118320054) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
PubChem CID118320054
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(-n2nccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nc2ccccc2o1
InChIInChI=1S/C24H26N6O2/c1-16-8-6-14-29(20(16)15-25-24-28-18-9-3-4-11-21(18)32-24)23(31)22-17(2)7-5-10-19(22)30-26-12-13-27-30/h3-5,7,9-13,16,20H,6,8,14-15H2,1-2H3,(H,25,28)/t16-,20-/m1/s1
InChIKeyRYAVRCVAHHLVRF-OXQOHEQNSA-N
XLogP4.07
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-fluoro-3-methyl-6-(triazol-2-yl)phenyl]methanone
CID 123275655
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-(3,6-difluoro-2-pyrimidin-2-ylphenyl)methanone
CID 118320262
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-(6-fluoro-3-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118320104
[2-[[(6-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[3-fluoro-2-methyl-6-(triazol-2-yl)phenyl]methanone
CID 123644808
[2-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[4-fluoro-5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123168405
[2-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[6-fluoro-3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123772696
[(2S,3R)-2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[4-fluoro-5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118320120
[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-fluoro-4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123445656
[2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118310014
[2-[[(6-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-fluoro-4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123623230
[(2S,3R)-2-[[(6-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[4-fluoro-5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118320168
[(2S,3R)-2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[3,6-difluoro-2-(triazol-2-yl)phenyl]methanone
CID 118319980

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone (CID 118320054) is [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone is Cc1cccc(-n2nccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nc2ccccc2o1.
What is the InChIKey of [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone?
The InChIKey is RYAVRCVAHHLVRF-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-8-6-14-29(20(16)15-25-24-28-18-9-3-4-11-21(18)32-24)23(31)22-17(2)7-5-10-19(22)30-26-12-13-27-30/h3-5,7,9-13,16,20H,6,8,14-15H2,1-2H3,(H,25,28)/t16-,20-/m1/s1.
What are the key properties of [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone?
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone has a molecular weight of 430.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118320054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).