(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone

C18H25F2N3O2 — CID 56758942

IUPAC(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
SMILESCOc1c(F)ccc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1F
InChIInChI=1S/C18H25F2N3O2/c1-21-8-6-18(7-9-21)12-23(11-10-22(18)2)17(24)13-4-5-14(19)16(25-3)15(13)20/h4-5H,6-12H2,1-3H3
InChIKeyUFWUDDLCEZAMNZ-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.83
Rot. Bonds2

About (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone

(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 56758942) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
PubChem CID56758942
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
SMILESCOc1c(F)ccc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1F
InChIInChI=1S/C18H25F2N3O2/c1-21-8-6-18(7-9-21)12-23(11-10-22(18)2)17(24)13-4-5-14(19)16(25-3)15(13)20/h4-5H,6-12H2,1-3H3
InChIKeyUFWUDDLCEZAMNZ-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699456
(3R)-8-(2,4-difluoro-3-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95722543
(4aS,8aR)-6-(2,4-difluoro-3-methoxybenzoyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 56902030
(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56751265
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
CID 95876102
4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856
5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 56742402
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 56752988
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone (CID 56758942) is (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone is COc1c(F)ccc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1F.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is UFWUDDLCEZAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-21-8-6-18(7-9-21)12-23(11-10-22(18)2)17(24)13-4-5-14(19)16(25-3)15(13)20/h4-5H,6-12H2,1-3H3.
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 353.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 56758942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).