5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one

C20H38N4O — CID 138807134

IUPAC5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(CN2CCCN(C)C3(CCN(C)CC3)C2)CCC1=O
InChIInChI=1S/C20H38N4O/c1-17(2)24-15-18(6-7-19(24)25)14-23-11-5-10-22(4)20(16-23)8-12-21(3)13-9-20/h17-18H,5-16H2,1-4H3
InChIKeyRGFGTSGJFBTHJA-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.74
Rot. Bonds3

About 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one

5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138807134) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138807134
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(CN2CCCN(C)C3(CCN(C)CC3)C2)CCC1=O
InChIInChI=1S/C20H38N4O/c1-17(2)24-15-18(6-7-19(24)25)14-23-11-5-10-22(4)20(16-23)8-12-21(3)13-9-20/h17-18H,5-16H2,1-4H3
InChIKeyRGFGTSGJFBTHJA-UHFFFAOYSA-N
XLogP1.74
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one (CID 138807134) is 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one is CC(C)N1CC(CN2CCCN(C)C3(CCN(C)CC3)C2)CCC1=O.
What is the InChIKey of 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is RGFGTSGJFBTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-17(2)24-15-18(6-7-19(24)25)14-23-11-5-10-22(4)20(16-23)8-12-21(3)13-9-20/h17-18H,5-16H2,1-4H3.
What are the key properties of 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one?
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 350.55 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138807134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).