1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

C19H27FN2O2 — CID 131682828

IUPAC1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1CCCC2(CCC(=O)N2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-14-13-21-11-2-8-19(10-12-21)9-7-18(23)22(19)15-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyYNAAEQAYVRWFDP-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.82
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131682828) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131682828
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1CCCC2(CCC(=O)N2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-14-13-21-11-2-8-19(10-12-21)9-7-18(23)22(19)15-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyYNAAEQAYVRWFDP-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681081
9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 134076658
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
CID 155864802

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131682828) is 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1CCCC2(CCC(=O)N2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is YNAAEQAYVRWFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-14-13-21-11-2-8-19(10-12-21)9-7-18(23)22(19)15-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 334.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131682828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).