(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone

C15H20N2O — CID 121451720

IUPAC(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC3CC2CN(C)C3)cc1
InChIInChI=1S/C15H20N2O/c1-11-3-5-13(6-4-11)15(18)17-9-12-7-14(17)10-16(2)8-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyZMOIQLCXGDAPDO-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.77
Rot. Bonds1

About (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone

(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone (PubChem CID 121451720) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
PubChem CID121451720
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC3CC2CN(C)C3)cc1
InChIInChI=1S/C15H20N2O/c1-11-3-5-13(6-4-11)15(18)17-9-12-7-14(17)10-16(2)8-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyZMOIQLCXGDAPDO-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone
CID 139362783
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]benzenesulfonamide
CID 70722110
(4-chloro-3-methylphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70786453
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135119293
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 77093531
(3,4-diethoxyphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70705542
2-azabicyclo[2.2.1]heptan-2-yl-(4-methylsulfonylphenyl)methanone
CID 47318080
2-azabicyclo[2.2.1]heptan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 61072122
[2-(4-tert-butylphenyl)aziridin-1-yl]-(4-methylphenyl)methanone
CID 139219312

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone (CID 121451720) is (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC3CC2CN(C)C3)cc1.
What is the InChIKey of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone?
The InChIKey is ZMOIQLCXGDAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-3-5-13(6-4-11)15(18)17-9-12-7-14(17)10-16(2)8-12/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone?
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 121451720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).