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

C25H37FN4O2 — CID 130201060

IUPAC3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1CC1
InChIInChI=1S/C25H37FN4O2/c1-23(2,21(27)31)16-29-17-24(30(22(29)32)15-18-8-9-18)10-12-25(13-11-24,28(3)4)19-6-5-7-20(26)14-19/h5-7,14,18H,8-13,15-17H2,1-4H3,(H2,27,31)
InChIKeyTTXXMDGWIWSWFJ-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.55
Rot. Bonds7

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

3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130201060) 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]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130201060
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]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1CC1
InChIInChI=1S/C25H37FN4O2/c1-23(2,21(27)31)16-29-17-24(30(22(29)32)15-18-8-9-18)10-12-25(13-11-24,28(3)4)19-6-5-7-20(26)14-19/h5-7,14,18H,8-13,15-17H2,1-4H3,(H2,27,31)
InChIKeyTTXXMDGWIWSWFJ-UHFFFAOYSA-N
XLogP3.55
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
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_5083
CID 130200861
US10793556, Example SC_5061
CID 130202916
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-(dimethylcarbamoylamino)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165139553
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]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130201060) is 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-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]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1CC1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is TTXXMDGWIWSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN4O2/c1-23(2,21(27)31)16-29-17-24(30(22(29)32)15-18-8-9-18)10-12-25(13-11-24,28(3)4)19-6-5-7-20(26)14-19/h5-7,14,18H,8-13,15-17H2,1-4H3,(H2,27,31).
What are the key properties of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 444.60 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 130201060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).