N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide

C14H23F3N2O3 — CID 86985142

IUPACN-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-2-22-9-3-6-18-13(21)11-4-7-19(8-5-11)12(20)10-14(15,16)17/h11H,2-10H2,1H3,(H,18,21)
InChIKeyYFRXCMNUOZTYFA-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.72
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide (PubChem CID 86985142) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
PubChem CID86985142
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC NameN-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-2-22-9-3-6-18-13(21)11-4-7-19(8-5-11)12(20)10-14(15,16)17/h11H,2-10H2,1H3,(H,18,21)
InChIKeyYFRXCMNUOZTYFA-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 119288007
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
4-[[[4-(3-ethoxypropylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019796
1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86986547
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119930228
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide (CID 86985142) is N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The InChIKey is YFRXCMNUOZTYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-2-22-9-3-6-18-13(21)11-4-7-19(8-5-11)12(20)10-14(15,16)17/h11H,2-10H2,1H3,(H,18,21).
What are the key properties of N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 86985142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).