(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone

C15H24N4O — CID 97396872

IUPAC(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone
SMILESCCN1CCCC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C15H24N4O/c1-3-19-9-4-5-15(19)6-10-18(11-7-15)14(20)13-16-8-12-17(13)2/h8,12H,3-7,9-11H2,1-2H3
InChIKeyCXZKOTPMDDEYNA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds2

About (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone

(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone (PubChem CID 97396872) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone
PubChem CID97396872
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone
SMILESCCN1CCCC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C15H24N4O/c1-3-19-9-4-5-15(19)6-10-18(11-7-15)14(20)13-16-8-12-17(13)2/h8,12H,3-7,9-11H2,1-2H3
InChIKeyCXZKOTPMDDEYNA-UHFFFAOYSA-N
XLogP1.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone (CID 97396872) is (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone is CCN1CCCC12CCN(C(=O)c1nccn1C)CC2.
What is the InChIKey of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is CXZKOTPMDDEYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-19-9-4-5-15(19)6-10-18(11-7-15)14(20)13-16-8-12-17(13)2/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone?
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 97396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).