1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one

C23H40N2O2 — CID 170668457

IUPAC1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CN(C(=O)C2CCN(C(C)(C)C)CC2)CC2(CCC2)C1
InChIInChI=1S/C23H40N2O2/c1-21(2,3)19(26)18-14-23(10-7-11-23)16-24(15-18)20(27)17-8-12-25(13-9-17)22(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyPHJRIENVXBCANK-UHFFFAOYSA-N
MW376.59 g/mol
LogP4.13
Rot. Bonds2

About 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one

1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one (PubChem CID 170668457) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one
PubChem CID170668457
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CN(C(=O)C2CCN(C(C)(C)C)CC2)CC2(CCC2)C1
InChIInChI=1S/C23H40N2O2/c1-21(2,3)19(26)18-14-23(10-7-11-23)16-24(15-18)20(27)17-8-12-25(13-9-17)22(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyPHJRIENVXBCANK-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one (CID 170668457) is 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CN(C(=O)C2CCN(C(C)(C)C)CC2)CC2(CCC2)C1.
What is the InChIKey of 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PHJRIENVXBCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-21(2,3)19(26)18-14-23(10-7-11-23)16-24(15-18)20(27)17-8-12-25(13-9-17)22(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one?
1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one has a molecular weight of 376.59 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170668457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).