(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide

C15H21N3O — CID 155901269

IUPAC(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESCN1CC[C@@H]2[C@H](C1)CN2C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-8-7-14-13(10-17)11-18(14)15(19)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyXWXJYVBAXAVOHH-ZIAGYGMSSA-N
MW259.35 g/mol
LogP1.53
Rot. Bonds2

About (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide

(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 155901269) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
PubChem CID155901269
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESCN1CC[C@@H]2[C@H](C1)CN2C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-8-7-14-13(10-17)11-18(14)15(19)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyXWXJYVBAXAVOHH-ZIAGYGMSSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
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N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
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N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
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2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
N-(4-hydroxy-2-phenylbutyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
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3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
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3-[(3R,4S)-1-(benzylcarbamoyl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 72887730

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide (CID 155901269) is (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide is CN1CC[C@@H]2[C@H](C1)CN2C(=O)NCc1ccccc1.
What is the InChIKey of (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is XWXJYVBAXAVOHH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-8-7-14-13(10-17)11-18(14)15(19)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,19)/t13-,14-/m1/s1.
What are the key properties of (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 155901269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).