2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H30FN3O2 — CID 56905387

IUPAC2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN(CC)CC(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H30FN3O2/c1-3-23(4-2)15-19(26)25-13-11-21(16-25)10-5-12-24(20(21)27)14-17-6-8-18(22)9-7-17/h6-9H,3-5,10-16H2,1-2H3
InChIKeyGVXHCKDHKUOPJP-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.51
Rot. Bonds6

About 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56905387) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56905387
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN(CC)CC(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H30FN3O2/c1-3-23(4-2)15-19(26)25-13-11-21(16-25)10-5-12-24(20(21)27)14-17-6-8-18(22)9-7-17/h6-9H,3-5,10-16H2,1-2H3
InChIKeyGVXHCKDHKUOPJP-UHFFFAOYSA-N
XLogP2.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 56905387) is 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCN(CC)CC(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GVXHCKDHKUOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-3-23(4-2)15-19(26)25-13-11-21(16-25)10-5-12-24(20(21)27)14-17-6-8-18(22)9-7-17/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 375.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56905387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).