N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide

C21H30F3N3O — CID 142248619

IUPACN-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
SMILESCCN(CC1CCN(C)CC1)C1CCc2ccc(NC(=O)C(F)(F)F)cc2C1
InChIInChI=1S/C21H30F3N3O/c1-3-27(14-15-8-10-26(2)11-9-15)19-7-5-16-4-6-18(12-17(16)13-19)25-20(28)21(22,23)24/h4,6,12,15,19H,3,5,7-11,13-14H2,1-2H3,(H,25,28)
InChIKeyRARPKQMCWKQPAM-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.71
Rot. Bonds5

About N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide

N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 142248619) has the molecular formula C21H30F3N3O and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
PubChem CID142248619
Molecular FormulaC21H30F3N3O
Molecular Weight397.49 g/mol
Exact Mass397.23
IUPAC NameN-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
SMILESCCN(CC1CCN(C)CC1)C1CCc2ccc(NC(=O)C(F)(F)F)cc2C1
InChIInChI=1S/C21H30F3N3O/c1-3-27(14-15-8-10-26(2)11-9-15)19-7-5-16-4-6-18(12-17(16)13-19)25-20(28)21(22,23)24/h4,6,12,15,19H,3,5,7-11,13-14H2,1-2H3,(H,25,28)
InChIKeyRARPKQMCWKQPAM-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide (CID 142248619) is N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide is CCN(CC1CCN(C)CC1)C1CCc2ccc(NC(=O)C(F)(F)F)cc2C1.
What is the InChIKey of N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RARPKQMCWKQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O/c1-3-27(14-15-8-10-26(2)11-9-15)19-7-5-16-4-6-18(12-17(16)13-19)25-20(28)21(22,23)24/h4,6,12,15,19H,3,5,7-11,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide?
N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 397.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[ethyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).