1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one

C19H27FN2O2 — CID 118743767

IUPAC1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC2(CCCN2Cc2ccccc2F)C1
InChIInChI=1S/C19H27FN2O2/c1-24-13-8-18(23)21-11-4-9-19(15-21)10-5-12-22(19)14-16-6-2-3-7-17(16)20/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyUNXWQOSZGPQRLI-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one

1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one (PubChem CID 118743767) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one
PubChem CID118743767
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC2(CCCN2Cc2ccccc2F)C1
InChIInChI=1S/C19H27FN2O2/c1-24-13-8-18(23)21-11-4-9-19(15-21)10-5-12-22(19)14-16-6-2-3-7-17(16)20/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyUNXWQOSZGPQRLI-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 ≤ 500334.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one with MolForge

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Related Compounds

1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970
Ethyl 4-(2,6-difluorobenzyl)-1-piperazinecarboxylate
CID 2055478
Ethyl-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-carbamic acid methyl ester
CID 44404542
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544
3,8-Diazabicyclo(3.2.1)octane, 3-benzyl-8-propionyl-
CID 45839
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24790641
N-[1-(2-fluorobenzyl)-3-piperidinyl]-3-(2-isoxazolidinyl)-N-methylpropanamide
CID 24817570
1-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 783394
Cambridge id 5432181
CID 783754
1-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 13066325

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one (CID 118743767) is 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC2(CCCN2Cc2ccccc2F)C1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one?
The InChIKey is UNXWQOSZGPQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-13-8-18(23)21-11-4-9-19(15-21)10-5-12-22(19)14-16-6-2-3-7-17(16)20/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one?
1-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one has a molecular weight of 334.44 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-[1-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 118743767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).