[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone

C15H19N5O2 — CID 133128635

IUPAC[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)CC[C@@H]1N
InChIInChI=1S/C15H19N5O2/c1-22-14-10-19(8-7-12(14)16)15(21)13-9-17-18-20(13)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10,16H2,1H3/t12-,14+/m0/s1
InChIKeyGXKZLKAVWGMEOE-GXTWGEPZSA-N
MW301.35 g/mol
LogP0.46
Rot. Bonds3

About [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone

[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone (PubChem CID 133128635) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
PubChem CID133128635
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)CC[C@@H]1N
InChIInChI=1S/C15H19N5O2/c1-22-14-10-19(8-7-12(14)16)15(21)13-9-17-18-20(13)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10,16H2,1H3/t12-,14+/m0/s1
InChIKeyGXKZLKAVWGMEOE-GXTWGEPZSA-N
XLogP0.46
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
2-(3-phenyltriazole-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50964156
5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 56876878
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 155499899
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
CID 56875991
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone
CID 56880493
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone (CID 133128635) is [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone is CO[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)CC[C@@H]1N.
What is the InChIKey of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone?
The InChIKey is GXKZLKAVWGMEOE-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-14-10-19(8-7-12(14)16)15(21)13-9-17-18-20(13)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10,16H2,1H3/t12-,14+/m0/s1.
What are the key properties of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone?
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 133128635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).