2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one

C22H40N2O — CID 170063710

IUPAC2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2
InChIInChI=1S/C22H40N2O/c1-18-5-9-22(10-6-18)11-15-23(16-12-22)17-19-7-13-24(14-8-19)20(25)21(2,3)4/h18-19H,5-17H2,1-4H3
InChIKeyOUJFEBNTBGPHHN-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.56
Rot. Bonds2

About 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 170063710) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID170063710
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2
InChIInChI=1S/C22H40N2O/c1-18-5-9-22(10-6-18)11-15-23(16-12-22)17-19-7-13-24(14-8-19)20(25)21(2,3)4/h18-19H,5-17H2,1-4H3
InChIKeyOUJFEBNTBGPHHN-UHFFFAOYSA-N
XLogP4.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one (CID 170063710) is 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one is CC1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2.
What is the InChIKey of 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is OUJFEBNTBGPHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-18-5-9-22(10-6-18)11-15-23(16-12-22)17-19-7-13-24(14-8-19)20(25)21(2,3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 348.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 170063710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).