1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

C19H25F3N2O4 — CID 55965390

IUPAC1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C19H25F3N2O4/c20-19(21,22)14-27-12-9-23-18(26)15-5-4-10-24(13-15)17(25)8-11-28-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H,23,26)
InChIKeyRAQPAGNHILRKRQ-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.39
Rot. Bonds9

About 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (PubChem CID 55965390) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
PubChem CID55965390
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Name1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C19H25F3N2O4/c20-19(21,22)14-27-12-9-23-18(26)15-5-4-10-24(13-15)17(25)8-11-28-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H,23,26)
InChIKeyRAQPAGNHILRKRQ-UHFFFAOYSA-N
XLogP2.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962463
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993927
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962270
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (CID 55965390) is 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is O=C(NCCOCC(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is RAQPAGNHILRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c20-19(21,22)14-27-12-9-23-18(26)15-5-4-10-24(13-15)17(25)8-11-28-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H,23,26).
What are the key properties of 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55965390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).