N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

C20H28F3N3O3 — CID 55663165

IUPACN-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H28F3N3O3/c1-2-29-13-5-10-24-19(28)15-8-11-26(12-9-15)14-18(27)25-17-7-4-3-6-16(17)20(21,22)23/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyVBUKOMZUABMWJY-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.90
Rot. Bonds9

About N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide (PubChem CID 55663165) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
PubChem CID55663165
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC NameN-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H28F3N3O3/c1-2-29-13-5-10-24-19(28)15-8-11-26(12-9-15)14-18(27)25-17-7-4-3-6-16(17)20(21,22)23/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyVBUKOMZUABMWJY-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide (CID 55663165) is N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The InChIKey is VBUKOMZUABMWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O3/c1-2-29-13-5-10-24-19(28)15-8-11-26(12-9-15)14-18(27)25-17-7-4-3-6-16(17)20(21,22)23/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55663165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).