(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one

C19H30N2O — CID 124682466

IUPAC(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](N)C[C@@H]2C)cc1
InChIInChI=1S/C19H30N2O/c1-13(2)16-5-7-17(8-6-16)14(3)11-19(22)21-10-9-18(20)12-15(21)4/h5-8,13-15,18H,9-12,20H2,1-4H3/t14-,15+,18-/m1/s1
InChIKeyWGXXMXXWNMRZPI-RVKKMQEKSA-N
MW302.46 g/mol
LogP3.64
Rot. Bonds4

About (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one

(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 124682466) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
PubChem CID124682466
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](N)C[C@@H]2C)cc1
InChIInChI=1S/C19H30N2O/c1-13(2)16-5-7-17(8-6-16)14(3)11-19(22)21-10-9-18(20)12-15(21)4/h5-8,13-15,18H,9-12,20H2,1-4H3/t14-,15+,18-/m1/s1
InChIKeyWGXXMXXWNMRZPI-RVKKMQEKSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119378198
(2S,3S)-2-methyl-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122115975
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
CID 131089427
3-(4-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107218054
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
3-(4-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 104502338
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one (CID 124682466) is (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one is CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](N)C[C@@H]2C)cc1.
What is the InChIKey of (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is WGXXMXXWNMRZPI-RVKKMQEKSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)16-5-7-17(8-6-16)14(3)11-19(22)21-10-9-18(20)12-15(21)4/h5-8,13-15,18H,9-12,20H2,1-4H3/t14-,15+,18-/m1/s1.
What are the key properties of (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one?
(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 124682466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).