4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide

C18H32F3N3O2 — CID 134505558

IUPAC4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
SMILESCC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(C)C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3O2/c1-14(2)24-6-4-17(5-7-24,13-23-8-10-26-11-9-23)22-16(25)12-15(3)18(19,20)21/h14-15H,4-13H2,1-3H3,(H,22,25)
InChIKeyRTFBIIAZWXCAAM-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.27
Rot. Bonds6

About 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide

4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide (PubChem CID 134505558) has the molecular formula C18H32F3N3O2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
PubChem CID134505558
Molecular FormulaC18H32F3N3O2
Molecular Weight379.47 g/mol
Exact Mass379.24
IUPAC Name4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
SMILESCC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(C)C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3O2/c1-14(2)24-6-4-17(5-7-24,13-23-8-10-26-11-9-23)22-16(25)12-15(3)18(19,20)21/h14-15H,4-13H2,1-3H3,(H,22,25)
InChIKeyRTFBIIAZWXCAAM-UHFFFAOYSA-N
XLogP2.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide (CID 134505558) is 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide is CC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(C)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide?
The InChIKey is RTFBIIAZWXCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O2/c1-14(2)24-6-4-17(5-7-24,13-23-8-10-26-11-9-23)22-16(25)12-15(3)18(19,20)21/h14-15H,4-13H2,1-3H3,(H,22,25).
What are the key properties of 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide?
4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide has a molecular weight of 379.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide is sourced from PubChem (CID 134505558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).