N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C18H30F3N3O2 — CID 110402891

IUPACN-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C18H30F3N3O2/c1-13(2)15(23-8-4-3-5-9-23)12-22-16(25)14-6-10-24(11-7-14)17(26)18(19,20)21/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyHTAQJXTZERBXIV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds5

About N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110402891) has the molecular formula C18H30F3N3O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110402891
Molecular FormulaC18H30F3N3O2
Molecular Weight377.45 g/mol
Exact Mass377.23
IUPAC NameN-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C18H30F3N3O2/c1-13(2)15(23-8-4-3-5-9-23)12-22-16(25)14-6-10-24(11-7-14)17(26)18(19,20)21/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyHTAQJXTZERBXIV-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110416791
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110402891) is N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1.
What is the InChIKey of N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is HTAQJXTZERBXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N3O2/c1-13(2)15(23-8-4-3-5-9-23)12-22-16(25)14-6-10-24(11-7-14)17(26)18(19,20)21/h13-15H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110402891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).