1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine

C23H27N5O — CID 118057566

IUPAC1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nnc(C4CC4)o3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C23H27N5O/c1-14-9-15(2)11-17(10-14)19-12-25-13-20(21(19)28-7-5-18(24)6-8-28)23-27-26-22(29-23)16-3-4-16/h9-13,16,18H,3-8,24H2,1-2H3
InChIKeySKIYPBGRAOYIMD-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.22
Rot. Bonds4

About 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine

1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057566) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057566
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nnc(C4CC4)o3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C23H27N5O/c1-14-9-15(2)11-17(10-14)19-12-25-13-20(21(19)28-7-5-18(24)6-8-28)23-27-26-22(29-23)16-3-4-16/h9-13,16,18H,3-8,24H2,1-2H3
InChIKeySKIYPBGRAOYIMD-UHFFFAOYSA-N
XLogP4.22
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (CID 118057566) is 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3nnc(C4CC4)o3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is SKIYPBGRAOYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14-9-15(2)11-17(10-14)19-12-25-13-20(21(19)28-7-5-18(24)6-8-28)23-27-26-22(29-23)16-3-4-16/h9-13,16,18H,3-8,24H2,1-2H3.
What are the key properties of 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).