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

C21H29FN2O — CID 45171090

IUPAC2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC12CCN(CC1CCCC1)C2
InChIInChI=1S/C21H29FN2O/c22-19-8-6-18(7-9-19)15-24-12-3-10-21(20(24)25)11-13-23(16-21)14-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2
InChIKeyYGBSWJQIUAXQEJ-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.83
Rot. Bonds4

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

2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45171090) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45171090
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC12CCN(CC1CCCC1)C2
InChIInChI=1S/C21H29FN2O/c22-19-8-6-18(7-9-19)15-24-12-3-10-21(20(24)25)11-13-23(16-21)14-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2
InChIKeyYGBSWJQIUAXQEJ-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45171090) is 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(Cc2ccc(F)cc2)CCCC12CCN(CC1CCCC1)C2.
What is the InChIKey of 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YGBSWJQIUAXQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c22-19-8-6-18(7-9-19)15-24-12-3-10-21(20(24)25)11-13-23(16-21)14-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2.
What are the key properties of 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45171090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).