(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

C15H26N4O3 — CID 160789647

IUPAC(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESCN1CCCC(CONC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3C)C1
InChIInChI=1S/C15H26N4O3/c1-17-7-3-4-11(8-17)10-22-16-14(20)13-6-5-12-9-19(13)15(21)18(12)2/h11-13H,3-10H2,1-2H3,(H,16,20)/t11?,12-,13+/m1/s1
InChIKeySFYQDGUFLRDTFR-HDYSRYHKSA-N
MW310.40 g/mol
LogP0.27
Rot. Bonds4

About (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 160789647) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
PubChem CID160789647
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESCN1CCCC(CONC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3C)C1
InChIInChI=1S/C15H26N4O3/c1-17-7-3-4-11(8-17)10-22-16-14(20)13-6-5-12-9-19(13)15(21)18(12)2/h11-13H,3-10H2,1-2H3,(H,16,20)/t11?,12-,13+/m1/s1
InChIKeySFYQDGUFLRDTFR-HDYSRYHKSA-N
XLogP0.27
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-N-[[(3R)-1-methylpiperidin-3-yl]methoxy]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 159513179
tert-butyl (3R)-3-[[(2S,5R)-6-methyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxypiperidine-1-carboxylate
CID 158671742
(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158304969
(2S,5R)-6-methoxy-N-(2-methoxyethoxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 158952152
[(2S)-7-oxo-2-[[(3R)-piperidin-3-yl]methoxycarbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 122549862
(2S,5R)-6-methyl-7-oxo-N-[(3R)-pyrrolidin-3-yl]oxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 157223521
6-hydroxy-7-oxo-N-[[(2S)-piperidin-2-yl]methoxy]-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 166868058
tert-butyl (2S)-2-[[[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxymethyl]piperidine-1-carboxylate
CID 118086804
N-[2-(dimethylamino)ethoxy]-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 140696530
[(2S,5R)-7-oxo-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxycarbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 73387990
6-hydroxy-N-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 123442095
2-[[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxymethyl]morpholine-4-carboxylic acid
CID 90220427

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (CID 160789647) is (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is CN1CCCC(CONC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3C)C1.
What is the InChIKey of (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is SFYQDGUFLRDTFR-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-17-7-3-4-11(8-17)10-22-16-14(20)13-6-5-12-9-19(13)15(21)18(12)2/h11-13H,3-10H2,1-2H3,(H,16,20)/t11?,12-,13+/m1/s1.
What are the key properties of (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 160789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).