N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide

C26H33F3N4O2 — CID 129105357

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(OC(F)(F)F)nc2)CC1
InChIInChI=1S/C26H33F3N4O2/c27-26(28,29)35-24-7-6-23(18-31-24)33-16-11-22(12-17-33)25(34)30-13-8-20-9-14-32(15-10-20)19-21-4-2-1-3-5-21/h1-7,18,20,22H,8-17,19H2,(H,30,34)
InChIKeyGXSVKAILXFWHSR-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.62
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 129105357) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID129105357
Molecular FormulaC26H33F3N4O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(OC(F)(F)F)nc2)CC1
InChIInChI=1S/C26H33F3N4O2/c27-26(28,29)35-24-7-6-23(18-31-24)33-16-11-22(12-17-33)25(34)30-13-8-20-9-14-32(15-10-20)19-21-4-2-1-3-5-21/h1-7,18,20,22H,8-17,19H2,(H,30,34)
InChIKeyGXSVKAILXFWHSR-UHFFFAOYSA-N
XLogP4.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
7-[[4-[6-(difluoromethoxy)-3-pyridinyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 168284895
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967634
2-[4-(6-Methoxypyridin-3-yl)cyclohexyl]amino-2-[1-(trans-3,4,5-trifluorocinnamoyl)-piperidin-4-yl]-acetamide
CID 57344315
N-[3-(1,1-difluoroethyl)phenyl]-1-(6-methoxypyridin-3-yl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443085
N-(6-methoxypyridin-3-yl)-2,2-diphenylacetamide
CID 1506493
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl}cyclohexanecarboxamide
CID 3240844
N-{2-[4-(2-Methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}cyclohexanecarboxamide
CID 5310238
(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide
CID 7478550
(E)-3-(4-fluorophenyl)-N-(6-methoxypyridin-3-yl)prop-2-enamide
CID 7478561
(E)-3-(3-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 15945297

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide (CID 129105357) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(OC(F)(F)F)nc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GXSVKAILXFWHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c27-26(28,29)35-24-7-6-23(18-31-24)33-16-11-22(12-17-33)25(34)30-13-8-20-9-14-32(15-10-20)19-21-4-2-1-3-5-21/h1-7,18,20,22H,8-17,19H2,(H,30,34).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethoxy)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 129105357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).