1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone

C20H38N4O — CID 56746532

IUPAC1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C20H38N4O/c1-4-18-8-5-6-12-23(18)16-19(25)24-13-7-11-22(3)20(17-24)9-14-21(2)15-10-20/h18H,4-17H2,1-3H3
InChIKeyYQCRZGMOEDUCOF-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds3

About 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone

1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 56746532) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID56746532
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C20H38N4O/c1-4-18-8-5-6-12-23(18)16-19(25)24-13-7-11-22(3)20(17-24)9-14-21(2)15-10-20/h18H,4-17H2,1-3H3
InChIKeyYQCRZGMOEDUCOF-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 56746532) is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)N1CCCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is YQCRZGMOEDUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-4-18-8-5-6-12-23(18)16-19(25)24-13-7-11-22(3)20(17-24)9-14-21(2)15-10-20/h18H,4-17H2,1-3H3.
What are the key properties of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 56746532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).