N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C22H31F3N2O3 — CID 55663900

IUPACN-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H31F3N2O3/c1-4-19(5-2)27(14-15-30-3)21(29)17-10-12-26(13-11-17)20(28)16-6-8-18(9-7-16)22(23,24)25/h6-9,17,19H,4-5,10-15H2,1-3H3
InChIKeyUTYGKVCZUPYHHW-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.22
Rot. Bonds8

About N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55663900) has the molecular formula C22H31F3N2O3 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55663900
Molecular FormulaC22H31F3N2O3
Molecular Weight428.50 g/mol
Exact Mass428.23
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H31F3N2O3/c1-4-19(5-2)27(14-15-30-3)21(29)17-10-12-26(13-11-17)20(28)16-6-8-18(9-7-16)22(23,24)25/h6-9,17,19H,4-5,10-15H2,1-3H3
InChIKeyUTYGKVCZUPYHHW-UHFFFAOYSA-N
XLogP4.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylpropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134058944
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 55587634
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55593185
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91916421
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508793
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55663900) is N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CCC(CC)N(CCOC)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is UTYGKVCZUPYHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O3/c1-4-19(5-2)27(14-15-30-3)21(29)17-10-12-26(13-11-17)20(28)16-6-8-18(9-7-16)22(23,24)25/h6-9,17,19H,4-5,10-15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55663900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).