N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine

C19H26F3N5O — CID 99777196

IUPACN-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)[C@H](NC1CCN(CCC(F)(F)F)CC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H26F3N5O/c1-13(2)16(18-25-17(26-28-18)14-4-3-8-23-12-14)24-15-5-9-27(10-6-15)11-7-19(20,21)22/h3-4,8,12-13,15-16,24H,5-7,9-11H2,1-2H3/t16-/m0/s1
InChIKeyUETQXPBRNFRSPB-INIZCTEOSA-N
MW397.45 g/mol
LogP3.84
Rot. Bonds7

About N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine

N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine (PubChem CID 99777196) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
PubChem CID99777196
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC NameN-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)[C@H](NC1CCN(CCC(F)(F)F)CC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H26F3N5O/c1-13(2)16(18-25-17(26-28-18)14-4-3-8-23-12-14)24-15-5-9-27(10-6-15)11-7-19(20,21)22/h3-4,8,12-13,15-16,24H,5-7,9-11H2,1-2H3/t16-/m0/s1
InChIKeyUETQXPBRNFRSPB-INIZCTEOSA-N
XLogP3.84
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 50965970
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 94817594
2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 51107775
1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
CID 70788768
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 51133640
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52517954
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The IUPAC name of N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine (CID 99777196) is N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine is CC(C)[C@H](NC1CCN(CCC(F)(F)F)CC1)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The InChIKey is UETQXPBRNFRSPB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-13(2)16(18-25-17(26-28-18)14-4-3-8-23-12-14)24-15-5-9-27(10-6-15)11-7-19(20,21)22/h3-4,8,12-13,15-16,24H,5-7,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine has a molecular weight of 397.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine is sourced from PubChem (CID 99777196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).