(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one

C16H25N3O — CID 125146845

IUPAC(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@H]1CN
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-19(15(12)11-17)16(20)10-14(18)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17-18H2,1H3/t12-,14-,15+/m1/s1
InChIKeyQIBIWGANOSNCFI-YUELXQCFSA-N
MW275.40 g/mol
LogP1.66
Rot. Bonds4

About (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one

(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 125146845) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
PubChem CID125146845
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@H]1CN
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-19(15(12)11-17)16(20)10-14(18)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17-18H2,1H3/t12-,14-,15+/m1/s1
InChIKeyQIBIWGANOSNCFI-YUELXQCFSA-N
XLogP1.66
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119597116
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124592771
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592808
1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592809
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
3-amino-1-(2,6-dimethylazepan-1-yl)-3-phenylpropan-1-one
CID 119951712
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
CID 107654129
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one (CID 125146845) is (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one is C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@H]1CN.
What is the InChIKey of (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QIBIWGANOSNCFI-YUELXQCFSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-9-19(15(12)11-17)16(20)10-14(18)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17-18H2,1H3/t12-,14-,15+/m1/s1.
What are the key properties of (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 125146845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).