N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C25H30F3N3O4 — CID 138517917

IUPACN,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1
InChIInChI=1S/C25H30F3N3O4/c1-24(23(33)29-2)9-11-31(12-10-24)19-4-3-17(25(26,27)28)15-18(19)30-22(32)21-6-5-20(35-21)16-7-13-34-14-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBJNMZVVOSCGUFI-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.80
Rot. Bonds5

About N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 138517917) has the molecular formula C25H30F3N3O4 and a molecular weight of 493.53 g/mol. Its IUPAC name is N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID138517917
Molecular FormulaC25H30F3N3O4
Molecular Weight493.53 g/mol
Exact Mass493.22
IUPAC NameN,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1
InChIInChI=1S/C25H30F3N3O4/c1-24(23(33)29-2)9-11-31(12-10-24)19-4-3-17(25(26,27)28)15-18(19)30-22(32)21-6-5-20(35-21)16-7-13-34-14-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBJNMZVVOSCGUFI-UHFFFAOYSA-N
XLogP4.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138517968
N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505378
N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505426
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-[(2,5-dimethoxyphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 21045963
N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 138505468
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117717
1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55394229

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 138517917) is N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CNC(=O)C1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1.
What is the InChIKey of N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BJNMZVVOSCGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O4/c1-24(23(33)29-2)9-11-31(12-10-24)19-4-3-17(25(26,27)28)15-18(19)30-22(32)21-6-5-20(35-21)16-7-13-34-14-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 138517917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).