N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide

C17H22F3N3O — CID 167767988

IUPACN-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)C2(CCC2)C1
InChIInChI=1S/C17H22F3N3O/c1-2-15(24)22-13-6-9-23(16(10-13)7-3-8-16)14-5-4-12(11-21-14)17(18,19)20/h4-5,11,13H,2-3,6-10H2,1H3,(H,22,24)
InChIKeyQHBZYIPJGZWHGT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.52
Rot. Bonds3

About N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide

N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide (PubChem CID 167767988) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide.

Molecular Properties

Compound NameN-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide
PubChem CID167767988
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC NameN-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)C2(CCC2)C1
InChIInChI=1S/C17H22F3N3O/c1-2-15(24)22-13-6-9-23(16(10-13)7-3-8-16)14-5-4-12(11-21-14)17(18,19)20/h4-5,11,13H,2-3,6-10H2,1H3,(H,22,24)
InChIKeyQHBZYIPJGZWHGT-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
2-(1-adamantyl)-N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]acetamide
CID 55708326
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
CID 55765689
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The IUPAC name of N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide (CID 167767988) is N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide.
What is the SMILES notation for N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The canonical SMILES for N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide is CCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)C2(CCC2)C1.
What is the InChIKey of N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The InChIKey is QHBZYIPJGZWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-2-15(24)22-13-6-9-23(16(10-13)7-3-8-16)14-5-4-12(11-21-14)17(18,19)20/h4-5,11,13H,2-3,6-10H2,1H3,(H,22,24).
What are the key properties of N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide has a molecular weight of 341.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide is sourced from PubChem (CID 167767988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).