4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H31FN2O3 — CID 42882209

IUPAC4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NCc1cccc(F)c1)N2C(=O)C1CCCC1
InChIInChI=1S/C23H31FN2O3/c1-16-9-11-23(12-10-16)26(22(28)18-6-2-3-7-18)20(15-29-23)21(27)25-14-17-5-4-8-19(24)13-17/h4-5,8,13,16,18,20H,2-3,6-7,9-12,14-15H2,1H3,(H,25,27)
InChIKeySHCUBUONUDBXEY-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.77
Rot. Bonds4

About 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42882209) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42882209
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NCc1cccc(F)c1)N2C(=O)C1CCCC1
InChIInChI=1S/C23H31FN2O3/c1-16-9-11-23(12-10-16)26(22(28)18-6-2-3-7-18)20(15-29-23)21(27)25-14-17-5-4-8-19(24)13-17/h4-5,8,13,16,18,20H,2-3,6-7,9-12,14-15H2,1H3,(H,25,27)
InChIKeySHCUBUONUDBXEY-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882206
N-benzyl-8-(cyclobutanecarbonyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820775
(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
(3S)-8-methyl-N-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93136672
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
(3R,5S,7R)-N-benzyl-4-(2-fluorobenzoyl)-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98405136
(3R)-8-(3-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137510
(3S)-N-benzyl-8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421037
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71830358
(3R)-4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144270

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42882209) is 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCC2(CC1)OCC(C(=O)NCc1cccc(F)c1)N2C(=O)C1CCCC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is SHCUBUONUDBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-16-9-11-23(12-10-16)26(22(28)18-6-2-3-7-18)20(15-29-23)21(27)25-14-17-5-4-8-19(24)13-17/h4-5,8,13,16,18,20H,2-3,6-7,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42882209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).