N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

C19H22F3N3O3S — CID 25052545

IUPACN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCCO)cs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F3N3O3S/c20-19(21,22)13-3-1-5-16(11-13)28-15-6-8-25(9-7-15)18(27)24-17-23-14(12-29-17)4-2-10-26/h1,3,5,11-12,15,26H,2,4,6-10H2,(H,23,24,27)
InChIKeyPBCGWOQIJFSHTH-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (PubChem CID 25052545) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
PubChem CID25052545
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCCO)cs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F3N3O3S/c20-19(21,22)13-3-1-5-16(11-13)28-15-6-8-25(9-7-15)18(27)24-17-23-14(12-29-17)4-2-10-26/h1,3,5,11-12,15,26H,2,4,6-10H2,(H,23,24,27)
InChIKeyPBCGWOQIJFSHTH-UHFFFAOYSA-N
XLogP4.16
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
(3S)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxamide
CID 25052480
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide
CID 25052479
1-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122074673
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
CID 145485873
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 33301638

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (CID 25052545) is N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is O=C(Nc1nc(CCCO)cs1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is PBCGWOQIJFSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c20-19(21,22)13-3-1-5-16(11-13)28-15-6-8-25(9-7-15)18(27)24-17-23-14(12-29-17)4-2-10-26/h1,3,5,11-12,15,26H,2,4,6-10H2,(H,23,24,27).
What are the key properties of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 25052545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).