1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H30N4O3 — CID 72879992

IUPAC1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCCN2CCCC2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C18H30N4O3/c1-20-12-13-22(14-18(20)7-6-15(23)19-9-8-18)17(25)5-3-11-21-10-2-4-16(21)24/h2-14H2,1H3,(H,19,23)
InChIKeyFFHCGFYRPVBEKL-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.20
Rot. Bonds4

About 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72879992) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72879992
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCCN2CCCC2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C18H30N4O3/c1-20-12-13-22(14-18(20)7-6-15(23)19-9-8-18)17(25)5-3-11-21-10-2-4-16(21)24/h2-14H2,1H3,(H,19,23)
InChIKeyFFHCGFYRPVBEKL-UHFFFAOYSA-N
XLogP0.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72879992) is 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)CCCN2CCCC2=O)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FFHCGFYRPVBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20-12-13-22(14-18(20)7-6-15(23)19-9-8-18)17(25)5-3-11-21-10-2-4-16(21)24/h2-14H2,1H3,(H,19,23).
What are the key properties of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 350.46 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72879992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).