1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H23F3N2O2 — CID 111489348

IUPAC1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCCCCO)C1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-17-12(20)11-5-4-7-18(9-11)6-2-1-3-8-19/h11,19H,1-10H2,(H,17,20)
InChIKeyJYJXGDNYEIDEEI-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.54
Rot. Bonds7

About 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 111489348) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID111489348
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCCCCO)C1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-17-12(20)11-5-4-7-18(9-11)6-2-1-3-8-19/h11,19H,1-10H2,(H,17,20)
InChIKeyJYJXGDNYEIDEEI-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)piperidine-3-carboxamide
CID 2769368
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium
CID 154670292
[3-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 55227456
5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 79199465
5-Hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79200043
(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129484
(3R)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129589
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81658491
5-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-2-one
CID 84072605
1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103726189
1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103726355

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 111489348) is 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(CCCCCO)C1.
What is the InChIKey of 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is JYJXGDNYEIDEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c14-13(15,16)10-17-12(20)11-5-4-7-18(9-11)6-2-1-3-8-19/h11,19H,1-10H2,(H,17,20).
What are the key properties of 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 111489348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).