N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C16H26F3N3O2 — CID 112502489

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC1CCN(C(C)CNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-11-5-8-21(9-6-11)12(2)10-20-14(23)13-4-3-7-22(13)15(24)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,23)
InChIKeyJUJZMHJFXOOLRO-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 112502489) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID112502489
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC1CCN(C(C)CNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-11-5-8-21(9-6-11)12(2)10-20-14(23)13-4-3-7-22(13)15(24)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,23)
InChIKeyJUJZMHJFXOOLRO-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 112502489) is N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC1CCN(C(C)CNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JUJZMHJFXOOLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-11-5-8-21(9-6-11)12(2)10-20-14(23)13-4-3-7-22(13)15(24)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112502489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).