[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone

C24H29FN2O2S — CID 91919155

IUPAC[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C24H29FN2O2S/c25-20-3-1-18(2-4-20)16-27(21-5-6-21)22-7-13-29-24(15-22)9-11-26(12-10-24)23(28)19-8-14-30-17-19/h1-4,8,14,17,21-22H,5-7,9-13,15-16H2
InChIKeyDDWCGNSWJIRYNG-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.71
Rot. Bonds5

About [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone

[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone (PubChem CID 91919155) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
PubChem CID91919155
Molecular FormulaC24H29FN2O2S
Molecular Weight428.57 g/mol
Exact Mass428.19
IUPAC Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C24H29FN2O2S/c25-20-3-1-18(2-4-20)16-27(21-5-6-21)22-7-13-29-24(15-22)9-11-26(12-10-24)23(28)19-8-14-30-17-19/h1-4,8,14,17,21-22H,5-7,9-13,15-16H2
InChIKeyDDWCGNSWJIRYNG-UHFFFAOYSA-N
XLogP4.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 168273424
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908291
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
(2,4-Difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 134817056
N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 46059752
N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)-3-(trifluoromethyl)benzamide
CID 73167827
2-fluoro-N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)benzamide
CID 76147262
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-(thiophen-3-YL)ethan-1-one
CID 91919153
1-{4-[Cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-2-(2-thienyl)-1-ethanone
CID 91919158
Phenyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 96448817
Phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372283

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone (CID 91919155) is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The InChIKey is DDWCGNSWJIRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2S/c25-20-3-1-18(2-4-20)16-27(21-5-6-21)22-7-13-29-24(15-22)9-11-26(12-10-24)23(28)19-8-14-30-17-19/h1-4,8,14,17,21-22H,5-7,9-13,15-16H2.
What are the key properties of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone has a molecular weight of 428.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91919155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).