(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

C18H34N4O2 — CID 56749658

IUPAC(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1
InChIInChI=1S/C18H34N4O2/c1-19-8-5-18(6-9-19)15-22(11-10-20(18)2)17(23)16-4-7-21(14-16)12-13-24-3/h16H,4-15H2,1-3H3
InChIKeyUBJKLEQCKPJXHA-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.19
Rot. Bonds4

About (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (PubChem CID 56749658) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
PubChem CID56749658
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1
InChIInChI=1S/C18H34N4O2/c1-19-8-5-18(6-9-19)15-22(11-10-20(18)2)17(23)16-4-7-21(14-16)12-13-24-3/h16H,4-15H2,1-3H3
InChIKeyUBJKLEQCKPJXHA-UHFFFAOYSA-N
XLogP0.19
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (CID 56749658) is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is COCCN1CCC(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1.
What is the InChIKey of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The InChIKey is UBJKLEQCKPJXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-19-8-5-18(6-9-19)15-22(11-10-20(18)2)17(23)16-4-7-21(14-16)12-13-24-3/h16H,4-15H2,1-3H3.
What are the key properties of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone has a molecular weight of 338.50 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 56749658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).