N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

C19H27F3N4O3 — CID 118744332

IUPACN-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CCN(c2ccnc(C3CCNCC3)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-13(22)20-15-5-10-21(11-6-15)16-4-9-19-17(12-16)14-2-7-18-8-3-14;3-2(4,5)1(6)7/h4,9,12,14-15,18H,2-3,5-8,10-11H2,1H3,(H,20,22);(H,6,7)
InChIKeyJNRMYWPXSJZXIX-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.29
Rot. Bonds3

About N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118744332) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118744332
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC NameN-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CCN(c2ccnc(C3CCNCC3)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-13(22)20-15-5-10-21(11-6-15)16-4-9-19-17(12-16)14-2-7-18-8-3-14;3-2(4,5)1(6)7/h4,9,12,14-15,18H,2-3,5-8,10-11H2,1H3,(H,20,22);(H,6,7)
InChIKeyJNRMYWPXSJZXIX-UHFFFAOYSA-N
XLogP2.29
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid 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 N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118744332) is N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NC1CCN(c2ccnc(C3CCNCC3)c2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is JNRMYWPXSJZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C2HF3O2/c1-13(22)20-15-5-10-21(11-6-15)16-4-9-19-17(12-16)14-2-7-18-8-3-14;3-2(4,5)1(6)7/h4,9,12,14-15,18H,2-3,5-8,10-11H2,1H3,(H,20,22);(H,6,7).
What are the key properties of N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-4-yl-4-pyridinyl)piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).