N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H23F3N2O2 — CID 102862809

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CN1)N(CCCO)C1CCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-5-6-12(18-9-10)13(21)19(7-2-8-20)11-3-1-4-11/h10-12,18,20H,1-9H2
InChIKeyPEOHGYIEOOZIRJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.68
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 102862809) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID102862809
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CN1)N(CCCO)C1CCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-5-6-12(18-9-10)13(21)19(7-2-8-20)11-3-1-4-11/h10-12,18,20H,1-9H2
InChIKeyPEOHGYIEOOZIRJ-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 170128718
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54874245
1-[3-(3-Hydroxypropylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 84001289
(2S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 93376975
(2R)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 93376976
N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 102862832
N-(2-amino-2-oxoethyl)-N-ethyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 103102667
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 103110641
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 105418338
N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567427
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylpiperidine-2-carboxamide
CID 105569489
4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-2-carboxamide
CID 105646040

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 102862809) is N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(C1CCC(C(F)(F)F)CN1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is PEOHGYIEOOZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-5-6-12(18-9-10)13(21)19(7-2-8-20)11-3-1-4-11/h10-12,18,20H,1-9H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 102862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).