1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C18H25FN4O2 — CID 118744597

IUPAC1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccncc1F)C2
InChIInChI=1S/C18H25FN4O2/c1-21(2)10-11-23-16(24)4-7-18(23)6-3-9-22(13-18)17(25)14-5-8-20-12-15(14)19/h5,8,12H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyHDTDHMTXRRRGFF-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118744597) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118744597
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccncc1F)C2
InChIInChI=1S/C18H25FN4O2/c1-21(2)10-11-23-16(24)4-7-18(23)6-3-9-22(13-18)17(25)14-5-8-20-12-15(14)19/h5,8,12H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyHDTDHMTXRRRGFF-UHFFFAOYSA-N
XLogP1.38
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118744597) is 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is CN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccncc1F)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is HDTDHMTXRRRGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-21(2)10-11-23-16(24)4-7-18(23)6-3-9-22(13-18)17(25)14-5-8-20-12-15(14)19/h5,8,12H,3-4,6-7,9-11,13H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 348.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-9-(3-fluoropyridine-4-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118744597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).