N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C25H31F2N5O3 — CID 146068080

IUPACN-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccc(F)cc4F)CC3)CN2CC(=O)NC2CC2)o1
InChIInChI=1S/C25H31F2N5O3/c1-15(2)22-29-30-23(35-22)20-12-25(14-32(20)13-21(33)28-17-4-5-17)7-9-31(10-8-25)24(34)18-6-3-16(26)11-19(18)27/h3,6,11,15,17,20H,4-5,7-10,12-14H2,1-2H3,(H,28,33)
InChIKeyYDMSICLJZKXRJS-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.42
Rot. Bonds6

About N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146068080) has the molecular formula C25H31F2N5O3 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146068080
Molecular FormulaC25H31F2N5O3
Molecular Weight487.55 g/mol
Exact Mass487.24
IUPAC NameN-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccc(F)cc4F)CC3)CN2CC(=O)NC2CC2)o1
InChIInChI=1S/C25H31F2N5O3/c1-15(2)22-29-30-23(35-22)20-12-25(14-32(20)13-21(33)28-17-4-5-17)7-9-31(10-8-25)24(34)18-6-3-16(26)11-19(18)27/h3,6,11,15,17,20H,4-5,7-10,12-14H2,1-2H3,(H,28,33)
InChIKeyYDMSICLJZKXRJS-UHFFFAOYSA-N
XLogP3.42
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[8-(3-methylthiophene-2-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146067289
N-cyclopropyl-2-[8-(3-methylbutanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146068068
2-[8-(2-cyclohexylacetyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 146068087
2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 146068073
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
CID 146070806
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146068080) is N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is CC(C)c1nnc(C2CC3(CCN(C(=O)c4ccc(F)cc4F)CC3)CN2CC(=O)NC2CC2)o1.
What is the InChIKey of N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is YDMSICLJZKXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O3/c1-15(2)22-29-30-23(35-22)20-12-25(14-32(20)13-21(33)28-17-4-5-17)7-9-31(10-8-25)24(34)18-6-3-16(26)11-19(18)27/h3,6,11,15,17,20H,4-5,7-10,12-14H2,1-2H3,(H,28,33).
What are the key properties of N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 487.55 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146068080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).