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

C16H22ClN5O — CID 137340433

IUPAC5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H22ClN5O/c17-14-4-2-1-3-12(14)11-22-9-6-13(7-10-22)19-16-21-20-15(23-16)5-8-18/h1-4,13H,5-11,18H2,(H,19,21)
InChIKeyRPPUDTDHJZLBOU-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.30
Rot. Bonds6

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

5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 137340433) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID137340433
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H22ClN5O/c17-14-4-2-1-3-12(14)11-22-9-6-13(7-10-22)19-16-21-20-15(23-16)5-8-18/h1-4,13H,5-11,18H2,(H,19,21)
InChIKeyRPPUDTDHJZLBOU-UHFFFAOYSA-N
XLogP2.30
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine (CID 137340433) is 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine is NCCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RPPUDTDHJZLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c17-14-4-2-1-3-12(14)11-22-9-6-13(7-10-22)19-16-21-20-15(23-16)5-8-18/h1-4,13H,5-11,18H2,(H,19,21).
What are the key properties of 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 335.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137340433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).