N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H24F3N3O2 — CID 110753579

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3O2/c1-19(10-11-20-6-2-3-7-20)13(22)12-4-8-21(9-5-12)14(23)15(16,17)18/h12H,2-11H2,1H3
InChIKeyNSTHXSAKRZOAHJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110753579) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110753579
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3O2/c1-19(10-11-20-6-2-3-7-20)13(22)12-4-8-21(9-5-12)14(23)15(16,17)18/h12H,2-11H2,1H3
InChIKeyNSTHXSAKRZOAHJ-UHFFFAOYSA-N
XLogP1.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 126797416
4-[2-hydroxyethyl(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 175395541
(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580497
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110753579) is N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN(CCN1CCCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is NSTHXSAKRZOAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-19(10-11-20-6-2-3-7-20)13(22)12-4-8-21(9-5-12)14(23)15(16,17)18/h12H,2-11H2,1H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110753579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).