3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one

C13H26N2O2 — CID 86794928

IUPAC3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)[C@@H](CO)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)12(10-16)14-7-6-13(17)15-8-4-3-5-9-15/h11-12,14,16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyOZHVFKHYHPYXQF-GFCCVEGCSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds6

About 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 86794928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID86794928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)[C@@H](CO)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)12(10-16)14-7-6-13(17)15-8-4-3-5-9-15/h11-12,14,16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyOZHVFKHYHPYXQF-GFCCVEGCSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 104581836
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 86794928) is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one is CC(C)[C@@H](CO)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is OZHVFKHYHPYXQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)12(10-16)14-7-6-13(17)15-8-4-3-5-9-15/h11-12,14,16H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86794928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).