4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

C19H29F3N6O3 — CID 155944947

IUPAC4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N6O.C2HF3O2/c1-20-5-9-22(10-6-20)16-4-3-15(13-18-16)14-19-17(24)23-11-7-21(2)8-12-23;3-2(4,5)1(6)7/h3-4,13H,5-12,14H2,1-2H3,(H,19,24);(H,6,7)
InChIKeyALVUMPHXUNCZCG-UHFFFAOYSA-N
MW446.47 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155944947) has the molecular formula C19H29F3N6O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155944947
Molecular FormulaC19H29F3N6O3
Molecular Weight446.47 g/mol
Exact Mass446.23
IUPAC Name4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N6O.C2HF3O2/c1-20-5-9-22(10-6-20)16-4-3-15(13-18-16)14-19-17(24)23-11-7-21(2)8-12-23;3-2(4,5)1(6)7/h3-4,13H,5-12,14H2,1-2H3,(H,19,24);(H,6,7)
InChIKeyALVUMPHXUNCZCG-UHFFFAOYSA-N
XLogP0.92
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 78853904
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 94180412
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471963
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155944947) is 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is CN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ALVUMPHXUNCZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O.C2HF3O2/c1-20-5-9-22(10-6-20)16-4-3-15(13-18-16)14-19-17(24)23-11-7-21(2)8-12-23;3-2(4,5)1(6)7/h3-4,13H,5-12,14H2,1-2H3,(H,19,24);(H,6,7).
What are the key properties of 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155944947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).