5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

C14H25N3O — CID 83249122

IUPAC5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-12-15-14(6-7-14)13(18)17(12)10-11-4-8-16(2)9-5-11/h11-12,15H,3-10H2,1-2H3
InChIKeyKIXJNWGUODSBTP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.03
Rot. Bonds3

About 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83249122) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83249122
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-12-15-14(6-7-14)13(18)17(12)10-11-4-8-16(2)9-5-11/h11-12,15H,3-10H2,1-2H3
InChIKeyKIXJNWGUODSBTP-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83249122) is 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1CC1CCN(C)CC1.
What is the InChIKey of 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KIXJNWGUODSBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-12-15-14(6-7-14)13(18)17(12)10-11-4-8-16(2)9-5-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 251.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83249122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).