6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C20H21FN4O3 — CID 146066819

IUPAC6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1ncccn1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C20H21FN4O3/c21-16-4-2-15(3-5-16)12-25-17(26)6-10-24(13-20(25)7-11-28-14-20)19(27)18-22-8-1-9-23-18/h1-5,8-9H,6-7,10-14H2
InChIKeyWKVVEYYBYGTLIE-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.65
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066819) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066819
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1ncccn1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C20H21FN4O3/c21-16-4-2-15(3-5-16)12-25-17(26)6-10-24(13-20(25)7-11-28-14-20)19(27)18-22-8-1-9-23-18/h1-5,8-9H,6-7,10-14H2
InChIKeyWKVVEYYBYGTLIE-UHFFFAOYSA-N
XLogP1.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066819) is 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is O=C(c1ncccn1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is WKVVEYYBYGTLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-16-4-2-15(3-5-16)12-25-17(26)6-10-24(13-20(25)7-11-28-14-20)19(27)18-22-8-1-9-23-18/h1-5,8-9H,6-7,10-14H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 384.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).