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

C16H20F2N4O — CID 154868110

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C16H20F2N4O/c1-2-15-20-21-16(23-15)19-12-5-7-22(8-6-12)10-11-3-4-13(17)14(18)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyWLDKVYHFPKPUDO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.99
Rot. Bonds5

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

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 154868110) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID154868110
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C16H20F2N4O/c1-2-15-20-21-16(23-15)19-12-5-7-22(8-6-12)10-11-3-4-13(17)14(18)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyWLDKVYHFPKPUDO-UHFFFAOYSA-N
XLogP2.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 106966826
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 24740862
4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 87761886
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 137340433
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56574362

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 154868110) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WLDKVYHFPKPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-2-15-20-21-16(23-15)19-12-5-7-22(8-6-12)10-11-3-4-13(17)14(18)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 322.36 g/mol, XLogP of 2.99, 5 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-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 154868110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).