(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione

C26H54N6O2 — CID 159359662

IUPAC(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione
SMILESCC1C(C)N2CCN1CC2.C[C@@H](N)[C@@H](C)N.C[C@H]1CC(=O)C(=O)N[C@@H]1C.C[C@H]1CCCN[C@@H]1C
InChIInChI=1S/C8H16N2.C7H11NO2.C7H15N.C4H12N2/c1-7-8(2)10-5-3-9(7)4-6-10;1-4-3-6(9)7(10)8-5(4)2;1-6-4-3-5-8-7(6)2;1-3(5)4(2)6/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);6-8H,3-5H2,1-2H3;3-4H,5-6H2,1-2H3/t;4-,5+;6-,7+;3-,4-/m.001/s1
InChIKeyLIJIDPCGPDREDN-RXFOPYGASA-N
MW482.76 g/mol
LogP1.57
Rot. Bonds1

About (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione

(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione (PubChem CID 159359662) has the molecular formula C26H54N6O2 and a molecular weight of 482.76 g/mol. Its IUPAC name is (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione.

Molecular Properties

Compound Name(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione
PubChem CID159359662
Molecular FormulaC26H54N6O2
Molecular Weight482.76 g/mol
Exact Mass482.43
IUPAC Name(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione
SMILESCC1C(C)N2CCN1CC2.C[C@@H](N)[C@@H](C)N.C[C@H]1CC(=O)C(=O)N[C@@H]1C.C[C@H]1CCCN[C@@H]1C
InChIInChI=1S/C8H16N2.C7H11NO2.C7H15N.C4H12N2/c1-7-8(2)10-5-3-9(7)4-6-10;1-4-3-6(9)7(10)8-5(4)2;1-6-4-3-5-8-7(6)2;1-3(5)4(2)6/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);6-8H,3-5H2,1-2H3;3-4H,5-6H2,1-2H3/t;4-,5+;6-,7+;3-,4-/m.001/s1
InChIKeyLIJIDPCGPDREDN-RXFOPYGASA-N
XLogP1.57
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.76
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-((4-(1-Azabicyclo[2.2.2]oct-2-ylcarbonyl)-1-piperazinyl)carbonyl)quinuclidine
CID 355252
[4-(1-Azabicyclo[2.2.2]octane-2-carbonyl)piperazin-1-yl]-(1-azabicyclo[2.2.2]octan-2-yl)methanone;iodomethane
CID 355253
N-isopropyl-1'-[(1-methyl-2-piperidinyl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 45235957
N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
CID 134565752
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
9-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 138749163
N-methyl-5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]piperidine-2-carboxamide
CID 140120874
2-(10-Oxo-2,9-diazaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-10-one
CID 156340501
1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one
CID 158326031
1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one
CID 158507072
1-Propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one
CID 158694385
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 160418137

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione?
The IUPAC name of (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione (CID 159359662) is (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione.
What is the SMILES notation for (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione?
The canonical SMILES for (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione is CC1C(C)N2CCN1CC2.C[C@@H](N)[C@@H](C)N.C[C@H]1CC(=O)C(=O)N[C@@H]1C.C[C@H]1CCCN[C@@H]1C.
What is the InChIKey of (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione?
The InChIKey is LIJIDPCGPDREDN-RXFOPYGASA-N. The full InChI is InChI=1S/C8H16N2.C7H11NO2.C7H15N.C4H12N2/c1-7-8(2)10-5-3-9(7)4-6-10;1-4-3-6(9)7(10)8-5(4)2;1-6-4-3-5-8-7(6)2;1-3(5)4(2)6/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);6-8H,3-5H2,1-2H3;3-4H,5-6H2,1-2H3/t;4-,5+;6-,7+;3-,4-/m.001/s1.
What are the key properties of (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione?
(2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione has a molecular weight of 482.76 g/mol, XLogP of 1.57, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-butane-2,3-diamine;2,3-dimethyl-1,4-diazabicyclo[2.2.2]octane;(2R,3S)-2,3-dimethylpiperidine;(5S,6R)-5,6-dimethylpiperidine-2,3-dione is sourced from PubChem (CID 159359662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).