N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C14H24F3N3O — CID 126752752

IUPACN-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3N3O/c1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyHCMZHACGKSTROZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.45
Rot. Bonds2

About N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 126752752) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID126752752
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3N3O/c1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyHCMZHACGKSTROZ-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 126752752) is N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is HCMZHACGKSTROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126752752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).