(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one

C15H25N3O2 — CID 158304969

IUPAC(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1CCC(CC(=O)C2CC[C@@H]3CN2C(=O)N3C)CC1
InChIInChI=1S/C15H25N3O2/c1-16-7-5-11(6-8-16)9-14(19)13-4-3-12-10-18(13)15(20)17(12)2/h11-13H,3-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyGMYSNVNJFCIQAE-PZORYLMUSA-N
MW279.38 g/mol
LogP1.19
Rot. Bonds3

About (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one

(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 158304969) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID158304969
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1CCC(CC(=O)C2CC[C@@H]3CN2C(=O)N3C)CC1
InChIInChI=1S/C15H25N3O2/c1-16-7-5-11(6-8-16)9-14(19)13-4-3-12-10-18(13)15(20)17(12)2/h11-13H,3-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyGMYSNVNJFCIQAE-PZORYLMUSA-N
XLogP1.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one with MolForge

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Related Compounds

tert-butyl 4-[2-[(5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(5R)-6-methyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 161206471
(2S,5R)-6-methyl-N-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 160789647
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
(2S,5R)-6-methyl-7-oxo-N-[(3R)-pyrrolidin-3-yl]oxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 157223521
(2S,5R)-2-tert-butyl-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158058958
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
[2-[(1-methylpiperidin-4-yl)carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 74943588
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
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
[(2S,5R)-2-[N-[(3S)-1-methylpyrrolidine-3-carbonyl]carbamimidoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 170348787
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421

Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one (CID 158304969) is (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one is CN1CCC(CC(=O)C2CC[C@@H]3CN2C(=O)N3C)CC1.
What is the InChIKey of (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is GMYSNVNJFCIQAE-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-7-5-11(6-8-16)9-14(19)13-4-3-12-10-18(13)15(20)17(12)2/h11-13H,3-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one?
(5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 279.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-2-[2-(1-methylpiperidin-4-yl)acetyl]-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 158304969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).