2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C20H22FN3O2 — CID 131686668

IUPAC2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-17-3-1-2-15(10-17)13-24-14-20(11-18(24)25)5-8-23(9-6-20)19(26)16-4-7-22-12-16/h1-4,7,10,12,22H,5-6,8-9,11,13-14H2
InChIKeyITCKSFANSLKXLL-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.81
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131686668) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131686668
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-17-3-1-2-15(10-17)13-24-14-20(11-18(24)25)5-8-23(9-6-20)19(26)16-4-7-22-12-16/h1-4,7,10,12,22H,5-6,8-9,11,13-14H2
InChIKeyITCKSFANSLKXLL-UHFFFAOYSA-N
XLogP2.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873955
8-(4,6-dichloropyridine-3-carbonyl)-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870779
2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873502
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72856538
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
(1S)-8-(4-fluorobenzoyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 164636487
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131686668) is 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ITCKSFANSLKXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-3-1-2-15(10-17)13-24-14-20(11-18(24)25)5-8-23(9-6-20)19(26)16-4-7-22-12-16/h1-4,7,10,12,22H,5-6,8-9,11,13-14H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 355.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131686668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).