2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one

C20H30N2O — CID 97396850

IUPAC2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1ccccc1CN1CCC2(CCCN2C(=O)C(C)C)CC1
InChIInChI=1S/C20H30N2O/c1-16(2)19(23)22-12-6-9-20(22)10-13-21(14-11-20)15-18-8-5-4-7-17(18)3/h4-5,7-8,16H,6,9-15H2,1-3H3
InChIKeyBUUCWBLAZPIJPI-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one

2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one (PubChem CID 97396850) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
PubChem CID97396850
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1ccccc1CN1CCC2(CCCN2C(=O)C(C)C)CC1
InChIInChI=1S/C20H30N2O/c1-16(2)19(23)22-12-6-9-20(22)10-13-21(14-11-20)15-18-8-5-4-7-17(18)3/h4-5,7-8,16H,6,9-15H2,1-3H3
InChIKeyBUUCWBLAZPIJPI-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one (CID 97396850) is 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one is Cc1ccccc1CN1CCC2(CCCN2C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The InChIKey is BUUCWBLAZPIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16(2)19(23)22-12-6-9-20(22)10-13-21(14-11-20)15-18-8-5-4-7-17(18)3/h4-5,7-8,16H,6,9-15H2,1-3H3.
What are the key properties of 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-[(2-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one is sourced from PubChem (CID 97396850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).