3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide

C25H37FN4O2 — CID 130200861

IUPAC3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H37FN4O2/c1-27(2)22(31)10-15-29-18-24(30(23(29)32)17-19-8-9-19)11-13-25(14-12-24,28(3)4)20-6-5-7-21(26)16-20/h5-7,16,19H,8-15,17-18H2,1-4H3
InChIKeyCTQQNFCCLUITBF-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.52
Rot. Bonds7

About 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide

3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide (PubChem CID 130200861) has the molecular formula C25H37FN4O2 and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide
PubChem CID130200861
Molecular FormulaC25H37FN4O2
Molecular Weight444.60 g/mol
Exact Mass444.29
IUPAC Name3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H37FN4O2/c1-27(2)22(31)10-15-29-18-24(30(23(29)32)17-19-8-9-19)11-13-25(14-12-24,28(3)4)20-6-5-7-21(26)16-20/h5-7,16,19H,8-15,17-18H2,1-4H3
InChIKeyCTQQNFCCLUITBF-UHFFFAOYSA-N
XLogP3.52
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10793528, Example SC_5084
CID 130201060
US10793556, Example SC_5061
CID 130202916
US10738015, Example SC-44
CID 137407635
US10793528, Example SC_5078
CID 130200844
US10793528, Example SC_5069
CID 130200865
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1343
CID 130200461
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N,N-dimethyl-acetamide
CID 130200462

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide (CID 130200861) is 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide?
The InChIKey is CTQQNFCCLUITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN4O2/c1-27(2)22(31)10-15-29-18-24(30(23(29)32)17-19-8-9-19)11-13-25(14-12-24,28(3)4)20-6-5-7-21(26)16-20/h5-7,16,19H,8-15,17-18H2,1-4H3.
What are the key properties of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide?
3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide has a molecular weight of 444.60 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 130200861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).