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

C17H22F2N4O — CID 72908302

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C17H22F2N4O/c1-2-3-16-21-22-17(24-16)20-13-6-8-23(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22)
InChIKeyLUQVJBLLWHNLRQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.38
Rot. Bonds6

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

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72908302) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72908302
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C17H22F2N4O/c1-2-3-16-21-22-17(24-16)20-13-6-8-23(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22)
InChIKeyLUQVJBLLWHNLRQ-UHFFFAOYSA-N
XLogP3.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

RIP1 kinase inhibitor 8
CID 134521520
[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 155523831
[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 138105971
N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
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5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
5-Ethyl-N-[2-(4-phenylpiperidin-1-YL)ethyl]-1,3,4-oxadiazol-2-amine
CID 72937354
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97149374
5-[1-[(2,6-Difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 126831030
4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 126841034
5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 136551614
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72908302) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LUQVJBLLWHNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-2-3-16-21-22-17(24-16)20-13-6-8-23(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 336.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72908302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).