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

C17H28F3N3O3 — CID 110402773

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C17H28F3N3O3/c1-12(2)14(22-7-9-26-10-8-22)11-21-15(24)13-3-5-23(6-4-13)16(25)17(18,19)20/h12-14H,3-11H2,1-2H3,(H,21,24)
InChIKeyXGMNJTRHJVIXBJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.26
Rot. Bonds5

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

N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110402773) has the molecular formula C17H28F3N3O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110402773
Molecular FormulaC17H28F3N3O3
Molecular Weight379.42 g/mol
Exact Mass379.21
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C17H28F3N3O3/c1-12(2)14(22-7-9-26-10-8-22)11-21-15(24)13-3-5-23(6-4-13)16(25)17(18,19)20/h12-14H,3-11H2,1-2H3,(H,21,24)
InChIKeyXGMNJTRHJVIXBJ-UHFFFAOYSA-N
XLogP1.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Piperidinylcarbonyl)Morpholine
CID 1520211
N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 5157518
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72115581
(3S)-3-(2-methylpropyl)-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]morpholine-4-carboxamide
CID 132325887
2,2-Difluoro-4-methyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-1-one
CID 57700688
2,2-Difluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-1-one
CID 68249506
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 89623856
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836
4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide
CID 134435829
3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide
CID 134435833
4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
CID 134505558

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110402773) is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is XGMNJTRHJVIXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O3/c1-12(2)14(22-7-9-26-10-8-22)11-21-15(24)13-3-5-23(6-4-13)16(25)17(18,19)20/h12-14H,3-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110402773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).