[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid

C19H28F3N3O3 — CID 175494603

IUPAC[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid
SMILESCC(C)(C)C(CCNC(=O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H28F3N3O3/c1-18(2,3)15(6-9-23-17(26)27)25-10-7-14(8-11-25)28-16-5-4-13(12-24-16)19(20,21)22/h4-5,12,14-15,23H,6-11H2,1-3H3,(H,26,27)
InChIKeyFHXMMNUACNZQBE-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.02
Rot. Bonds6

About [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid

[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid (PubChem CID 175494603) has the molecular formula C19H28F3N3O3 and a molecular weight of 403.45 g/mol. Its IUPAC name is [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid.

Molecular Properties

Compound Name[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid
PubChem CID175494603
Molecular FormulaC19H28F3N3O3
Molecular Weight403.45 g/mol
Exact Mass403.21
IUPAC Name[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid
SMILESCC(C)(C)C(CCNC(=O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H28F3N3O3/c1-18(2,3)15(6-9-23-17(26)27)25-10-7-14(8-11-25)28-16-5-4-13(12-24-16)19(20,21)22/h4-5,12,14-15,23H,6-11H2,1-3H3,(H,26,27)
InChIKeyFHXMMNUACNZQBE-UHFFFAOYSA-N
XLogP4.02
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
oxo-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]borane
CID 20701189
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
N-thiophen-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798781
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247581
[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 166572022
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 97104983
N-methyl-5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]aniline
CID 175337456
(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid?
The IUPAC name of [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid (CID 175494603) is [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid.
What is the SMILES notation for [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid?
The canonical SMILES for [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid is CC(C)(C)C(CCNC(=O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid?
The InChIKey is FHXMMNUACNZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O3/c1-18(2,3)15(6-9-23-17(26)27)25-10-7-14(8-11-25)28-16-5-4-13(12-24-16)19(20,21)22/h4-5,12,14-15,23H,6-11H2,1-3H3,(H,26,27).
What are the key properties of [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid?
[4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid has a molecular weight of 403.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pentyl]carbamic acid is sourced from PubChem (CID 175494603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).