3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione

C18H32N4O3 — CID 166865172

IUPAC3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
SMILESC=C(CC(C)N(C)[C@H]1CCCC[C@@H]1N)C(O)NC1CCC(=O)NC1=O
InChIInChI=1S/C18H32N4O3/c1-11(17(24)20-14-8-9-16(23)21-18(14)25)10-12(2)22(3)15-7-5-4-6-13(15)19/h12-15,17,20,24H,1,4-10,19H2,2-3H3,(H,21,23,25)/t12?,13-,14?,15-,17?/m0/s1
InChIKeyIZDYYKMBMWDMLO-ZJVBCEJDSA-N
MW352.48 g/mol
LogP0.24
Rot. Bonds7

About 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione

3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione (PubChem CID 166865172) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
PubChem CID166865172
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
SMILESC=C(CC(C)N(C)[C@H]1CCCC[C@@H]1N)C(O)NC1CCC(=O)NC1=O
InChIInChI=1S/C18H32N4O3/c1-11(17(24)20-14-8-9-16(23)21-18(14)25)10-12(2)22(3)15-7-5-4-6-13(15)19/h12-15,17,20,24H,1,4-10,19H2,2-3H3,(H,21,23,25)/t12?,13-,14?,15-,17?/m0/s1
InChIKeyIZDYYKMBMWDMLO-ZJVBCEJDSA-N
XLogP0.24
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-(but-3-en-2-ylamino)piperidine-2,6-dione
CID 107907204
3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
CID 77109780
3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione
CID 166875895
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
CID 43570969
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
CID 102731368
2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
CID 113408373
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione (CID 166865172) is 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione is C=C(CC(C)N(C)[C@H]1CCCC[C@@H]1N)C(O)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione?
The InChIKey is IZDYYKMBMWDMLO-ZJVBCEJDSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-11(17(24)20-14-8-9-16(23)21-18(14)25)10-12(2)22(3)15-7-5-4-6-13(15)19/h12-15,17,20,24H,1,4-10,19H2,2-3H3,(H,21,23,25)/t12?,13-,14?,15-,17?/m0/s1.
What are the key properties of 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione?
3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione has a molecular weight of 352.48 g/mol, XLogP of 0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166865172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).