2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone

C19H28N6O — CID 31104467

IUPAC2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
SMILESC[C@@H](c1ccccc1)N(C)Cc1cn(C2CCN(C(=O)CN)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-15(16-6-4-3-5-7-16)23(2)13-17-14-25(22-21-17)18-8-10-24(11-9-18)19(26)12-20/h3-7,14-15,18H,8-13,20H2,1-2H3/t15-/m0/s1
InChIKeyVNVNTPBHLGQMOW-HNNXBMFYSA-N
MW356.47 g/mol
LogP1.59
Rot. Bonds6

About 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 31104467) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID31104467
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
SMILESC[C@@H](c1ccccc1)N(C)Cc1cn(C2CCN(C(=O)CN)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-15(16-6-4-3-5-7-16)23(2)13-17-14-25(22-21-17)18-8-10-24(11-9-18)19(26)12-20/h3-7,14-15,18H,8-13,20H2,1-2H3/t15-/m0/s1
InChIKeyVNVNTPBHLGQMOW-HNNXBMFYSA-N
XLogP1.59
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
CID 46997089
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177728
[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 31054807
(3,5-dimethyl-1H-pyrrol-2-yl)-[4-[4-(2-hydroxypropyl)triazol-1-yl]piperidin-1-yl]methanone
CID 45186032
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 46994542
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
CID 46995940
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone (CID 31104467) is 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone is C[C@@H](c1ccccc1)N(C)Cc1cn(C2CCN(C(=O)CN)CC2)nn1.
What is the InChIKey of 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is VNVNTPBHLGQMOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15(16-6-4-3-5-7-16)23(2)13-17-14-25(22-21-17)18-8-10-24(11-9-18)19(26)12-20/h3-7,14-15,18H,8-13,20H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 31104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).