(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one

C16H29N5O — CID 124684418

IUPAC(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-5-12(4)14(17)16(22)20-8-6-7-13(9-20)15-19-18-10-21(15)11(2)3/h10-14H,5-9,17H2,1-4H3/t12-,13+,14+/m0/s1
InChIKeyAYBGDQSUHXAHPF-BFHYXJOUSA-N
MW307.44 g/mol
LogP1.94
Rot. Bonds5

About (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one

(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one (PubChem CID 124684418) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
PubChem CID124684418
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-5-12(4)14(17)16(22)20-8-6-7-13(9-20)15-19-18-10-21(15)11(2)3/h10-14H,5-9,17H2,1-4H3/t12-,13+,14+/m0/s1
InChIKeyAYBGDQSUHXAHPF-BFHYXJOUSA-N
XLogP1.94
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one (CID 124684418) is (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one is CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1.
What is the InChIKey of (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is AYBGDQSUHXAHPF-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-12(4)14(17)16(22)20-8-6-7-13(9-20)15-19-18-10-21(15)11(2)3/h10-14H,5-9,17H2,1-4H3/t12-,13+,14+/m0/s1.
What are the key properties of (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one?
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 307.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 124684418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).