N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C14H24F3N3O — CID 105418338

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(C(F)(F)F)CN2)CCC1
InChIInChI=1S/C14H24F3N3O/c1-20(2)13(6-3-7-13)9-19-12(21)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3,(H,19,21)
InChIKeyFSVVKLYEMZLAAK-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.52
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 105418338) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID105418338
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(C(F)(F)F)CN2)CCC1
InChIInChI=1S/C14H24F3N3O/c1-20(2)13(6-3-7-13)9-19-12(21)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3,(H,19,21)
InChIKeyFSVVKLYEMZLAAK-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 105418338) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CN(C)C1(CNC(=O)C2CCC(C(F)(F)F)CN2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is FSVVKLYEMZLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-20(2)13(6-3-7-13)9-19-12(21)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 105418338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).