N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C17H21F3N2O3 — CID 110344310

IUPACN-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11(2)25-14-7-5-13(6-8-14)21-15(23)12-4-3-9-22(10-12)16(24)17(18,19)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeySSZNHKKIVKPPDK-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.21
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344310) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344310
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11(2)25-14-7-5-13(6-8-14)21-15(23)12-4-3-9-22(10-12)16(24)17(18,19)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeySSZNHKKIVKPPDK-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344318
N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344301
N-(3-chloro-4-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344299
1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 133168255
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344310) is N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is SSZNHKKIVKPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11(2)25-14-7-5-13(6-8-14)21-15(23)12-4-3-9-22(10-12)16(24)17(18,19)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).