(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine

C19H27N5O — CID 129461449

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

(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine (PubChem CID 129461449) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine.

Molecular Properties

• Compound Name: (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine
• PubChem CID: 129461449
• Molecular Formula: C19H27N5O
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.22
• IUPAC Name: (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine
• SMILES: C[C@H](c1cccnc1)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1
• InChI: InChI=1S/C19H27N5O/c1-14(16-5-3-9-20-11-16)23(2)17-6-4-10-24(12-17)13-18-21-19(25-22-18)15-7-8-15/h3,5,9,11,14-15,17H,4,6-8,10,12-13H2,1-2H3/t14-,17+/m1/s1
• InChIKey: FIPILGOLPKKOFT-PBHICJAKSA-N
• XLogP: 3.00
• TPSA: 58.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine?

The IUPAC name of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine (CID 129461449) is (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine.

What is the SMILES notation for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine?

The canonical SMILES for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine is C[C@H](c1cccnc1)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1.

What is the InChIKey of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine?

The InChIKey is FIPILGOLPKKOFT-PBHICJAKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(16-5-3-9-20-11-16)23(2)17-6-4-10-24(12-17)13-18-21-19(25-22-18)15-7-8-15/h3,5,9,11,14-15,17H,4,6-8,10,12-13H2,1-2H3/t14-,17+/m1/s1.

What are the key properties of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine?

(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine has a molecular weight of 341.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine is sourced from PubChem (CID 129461449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).