2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C23H31FN2O3 — CID 45168521

IUPAC2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCC1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C23H31FN2O3/c24-19-7-5-18(6-8-19)22(28)26-13-11-23(12-14-26)10-9-20(29-23)16-25-21(27)15-17-3-1-2-4-17/h5-8,17,20H,1-4,9-16H2,(H,25,27)
InChIKeyYLTLVOKCFFYDGO-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.68
Rot. Bonds5

About 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 45168521) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID45168521
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCC1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C23H31FN2O3/c24-19-7-5-18(6-8-19)22(28)26-13-11-23(12-14-26)10-9-20(29-23)16-25-21(27)15-17-3-1-2-4-17/h5-8,17,20H,1-4,9-16H2,(H,25,27)
InChIKeyYLTLVOKCFFYDGO-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 45168521) is 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is O=C(CC1CCCC1)NCC1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is YLTLVOKCFFYDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3/c24-19-7-5-18(6-8-19)22(28)26-13-11-23(12-14-26)10-9-20(29-23)16-25-21(27)15-17-3-1-2-4-17/h5-8,17,20H,1-4,9-16H2,(H,25,27).
What are the key properties of 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 402.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 45168521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).