3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione

C11H18N2O3 — CID 102731368

IUPAC3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(N[C@H]2CCCC[C@@H]2O)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)12-8-5-6-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16)/t7-,8?,9-/m0/s1
InChIKeyWGVSHPFZOFCMIA-SMOXQLQSSA-N
MW226.28 g/mol
LogP-0.32
Rot. Bonds2

About 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione

3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione (PubChem CID 102731368) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
PubChem CID102731368
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(N[C@H]2CCCC[C@@H]2O)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)12-8-5-6-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16)/t7-,8?,9-/m0/s1
InChIKeyWGVSHPFZOFCMIA-SMOXQLQSSA-N
XLogP-0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(2-piperidin-2-ylcyclohexyl)amino]piperidine-2,6-dione
CID 79540257
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
CID 82852801
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
CID 80562122
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
2-(2,3-dihydro-1H-inden-1-ylamino)cyclohexan-1-ol
CID 15925776
3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one
CID 104788684
3-[[(1S,2R)-2-hydroxycyclohexyl]amino]cyclohex-2-en-1-one
CID 69448828
3-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]piperidine-2,6-dione
CID 82689859
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
CID 136540043
3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione
CID 156528051

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione (CID 102731368) is 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione is O=C1CCC(N[C@H]2CCCC[C@@H]2O)C(=O)N1.
What is the InChIKey of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione?
The InChIKey is WGVSHPFZOFCMIA-SMOXQLQSSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)12-8-5-6-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16)/t7-,8?,9-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione?
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 102731368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).