1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide

C19H24F3N3O2 — CID 121153923

IUPAC1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-1-13(2-5-15)3-6-17(26)25-11-16(12-25)24-9-7-14(8-10-24)18(23)27/h1-2,4-5,14,16H,3,6-12H2,(H2,23,27)
InChIKeyDANSVTMDFRVEGD-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153923) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153923
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-1-13(2-5-15)3-6-17(26)25-11-16(12-25)24-9-7-14(8-10-24)18(23)27/h1-2,4-5,14,16H,3,6-12H2,(H2,23,27)
InChIKeyDANSVTMDFRVEGD-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153914
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153974
2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
CID 95615420
1-[1-[3-[5-bromo-2-(difluoromethoxy)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153933
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
1-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 131702404
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153923) is 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is DANSVTMDFRVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-1-13(2-5-15)3-6-17(26)25-11-16(12-25)24-9-7-14(8-10-24)18(23)27/h1-2,4-5,14,16H,3,6-12H2,(H2,23,27).
What are the key properties of 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).