2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide

C25H35F4N3O2 — CID 145309808

IUPAC2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
SMILESCC(C)C(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(F)c3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C25H35F4N3O2/c1-16(2)22(25(27,28)29)24(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)23(33)30(3)4/h5-6,15-18,22H,7-14H2,1-4H3
InChIKeyNNMGUTNROKPZJN-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.82
Rot. Bonds5

About 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide

2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide (PubChem CID 145309808) has the molecular formula C25H35F4N3O2 and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
PubChem CID145309808
Molecular FormulaC25H35F4N3O2
Molecular Weight485.57 g/mol
Exact Mass485.27
IUPAC Name2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
SMILESCC(C)C(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(F)c3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C25H35F4N3O2/c1-16(2)22(25(27,28)29)24(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)23(33)30(3)4/h5-6,15-18,22H,7-14H2,1-4H3
InChIKeyNNMGUTNROKPZJN-UHFFFAOYSA-N
XLogP4.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-4-[4-[1-[2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
CID 145309780
2-chloro-4-[4-[1-(2-hydroxy-3-methyl-2-propan-2-ylbutanoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylbenzamide
CID 129145884
2-chloro-N,N-dimethyl-4-[4-[1-(3,3,3-trifluoro-2-methyl-2-phenylpropanoyl)piperidin-4-yl]piperidin-1-yl]benzamide
CID 135360676
2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
CID 135360512
2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146150
2-chloro-6-[4-[1-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoropropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129196803
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570
N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 71081149
4-[[4-[3-chloro-4-(dimethylcarbamoyl)phenyl]piperazin-1-yl]methyl]-N,N-difluoropiperidine-1-carboxamide
CID 155263038
2-chloro-4-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]benzoic acid
CID 129116291
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
CID 166030505
2-chloro-N,N-dimethyl-6-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129146151

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide (CID 145309808) is 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide is CC(C)C(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(F)c3)CC2)CC1)C(F)(F)F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide?
The InChIKey is NNMGUTNROKPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F4N3O2/c1-16(2)22(25(27,28)29)24(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)23(33)30(3)4/h5-6,15-18,22H,7-14H2,1-4H3.
What are the key properties of 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide?
2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide has a molecular weight of 485.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide is sourced from PubChem (CID 145309808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).