N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid

C21H28F3N3O3 — CID 154884787

IUPACN,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1CCN(CCN(C)C(=O)c2cc3ccccc3n2C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O.C2HF3O2/c1-15-8-10-22(11-9-15)13-12-20(2)19(23)18-14-16-6-4-5-7-17(16)21(18)3;3-2(4,5)1(6)7/h4-7,14-15H,8-13H2,1-3H3;(H,6,7)
InChIKeyUYBLWEILGLJLNO-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.62
Rot. Bonds4

About N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid

N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154884787) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154884787
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC NameN,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1CCN(CCN(C)C(=O)c2cc3ccccc3n2C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O.C2HF3O2/c1-15-8-10-22(11-9-15)13-12-20(2)19(23)18-14-16-6-4-5-7-17(16)21(18)3;3-2(4,5)1(6)7/h4-7,14-15H,8-13H2,1-3H3;(H,6,7)
InChIKeyUYBLWEILGLJLNO-UHFFFAOYSA-N
XLogP3.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154884787) is N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid is CC1CCN(CCN(C)C(=O)c2cc3ccccc3n2C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UYBLWEILGLJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.C2HF3O2/c1-15-8-10-22(11-9-15)13-12-20(2)19(23)18-14-16-6-4-5-7-17(16)21(18)3;3-2(4,5)1(6)7/h4-7,14-15H,8-13H2,1-3H3;(H,6,7).
What are the key properties of N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 427.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154884787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).