1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide

C23H31F3N2O2 — CID 123290315

IUPAC1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCCOCC(F)(F)F)ccc2c1=CC(CCC1CCNCC1)CC=2
InChIInChI=1S/C23H31F3N2O2/c1-16-20(22(29)28-12-13-30-15-23(24,25)26)7-6-19-5-4-18(14-21(16)19)3-2-17-8-10-27-11-9-17/h5-7,14,17-18,27H,2-4,8-13,15H2,1H3,(H,28,29)
InChIKeyAFCJTFVHGXJEQN-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.66
Rot. Bonds8

About 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide

1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide (PubChem CID 123290315) has the molecular formula C23H31F3N2O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide
PubChem CID123290315
Molecular FormulaC23H31F3N2O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCCOCC(F)(F)F)ccc2c1=CC(CCC1CCNCC1)CC=2
InChIInChI=1S/C23H31F3N2O2/c1-16-20(22(29)28-12-13-30-15-23(24,25)26)7-6-19-5-4-18(14-21(16)19)3-2-17-8-10-27-11-9-17/h5-7,14,17-18,27H,2-4,8-13,15H2,1H3,(H,28,29)
InChIKeyAFCJTFVHGXJEQN-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747424
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 169644038
(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747655
(3E)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 145584565
8-ethyl-3-methylidene-2-(piperidin-4-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]isoquinoline-7-carboxamide
CID 162593013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide?
The IUPAC name of 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide (CID 123290315) is 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide is Cc1c(C(=O)NCCOCC(F)(F)F)ccc2c1=CC(CCC1CCNCC1)CC=2.
What is the InChIKey of 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide?
The InChIKey is AFCJTFVHGXJEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O2/c1-16-20(22(29)28-12-13-30-15-23(24,25)26)7-6-19-5-4-18(14-21(16)19)3-2-17-8-10-27-11-9-17/h5-7,14,17-18,27H,2-4,8-13,15H2,1H3,(H,28,29).
What are the key properties of 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide?
1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 123290315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).