3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide

C21H26FN3O2 — CID 97406757

IUPAC3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCC1=NC2(CCC(C(=O)NCc3ccc(F)cc3)CC2)C(=O)N1CC1CC1
InChIInChI=1S/C21H26FN3O2/c1-14-24-21(20(27)25(14)13-16-2-3-16)10-8-17(9-11-21)19(26)23-12-15-4-6-18(22)7-5-15/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,26)
InChIKeyQMBKNSXZEHLVNY-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.04
Rot. Bonds5

About 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide

3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 97406757) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID97406757
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCC1=NC2(CCC(C(=O)NCc3ccc(F)cc3)CC2)C(=O)N1CC1CC1
InChIInChI=1S/C21H26FN3O2/c1-14-24-21(20(27)25(14)13-16-2-3-16)10-8-17(9-11-21)19(26)23-12-15-4-6-18(22)7-5-15/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,26)
InChIKeyQMBKNSXZEHLVNY-UHFFFAOYSA-N
XLogP3.04
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
CID 97410240
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394
1-[[4-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 57844365
1-[[4-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 57844579
1-[[4-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-benzylurea
CID 57844606
1-[[4-[[(4R)-2-amino-4-[(2,4-difluorophenyl)methyl]-4-methyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea
CID 57844642
1-[[4-[[(4R)-2-amino-4-[(3,5-difluorophenyl)methyl]-4-methyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea
CID 57844909
1-[[4-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-2-fluorophenyl]methyl]-3-butylurea
CID 57844910
(2S)-5-(1-aminoethylideneamino)-N-benzyl-2-[[2-[(4-fluorophenyl)methylamino]acetyl]amino]pentanamide
CID 59883404
(2S)-2-[[(2S)-2-amino-3-(3,4-difluorophenyl)propanoyl]amino]-5-(1-aminoethylideneamino)-N-benzylpentanamide
CID 59906443
N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide
CID 70132880

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide (CID 97406757) is 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide is CC1=NC2(CCC(C(=O)NCc3ccc(F)cc3)CC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is QMBKNSXZEHLVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-24-21(20(27)25(14)13-16-2-3-16)10-8-17(9-11-21)19(26)23-12-15-4-6-18(22)7-5-15/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,26).
What are the key properties of 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 97406757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).