(3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C₂₁H₃₀N₆O₂ — CID 95551272

About (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95551272) has the molecular formula C₂₁H₃₀N₆O₂ and a molecular weight of 398.51 g/mol. Its IUPAC name is (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 95551272
• Molecular Formula: C₂₁H₃₀N₆O₂
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• SMILES: Cc1nnc(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1
• InChI: InChI=1S/C21H30N6O2/c1-16-24-25-20(29-16)15-26-11-7-19(8-12-26)27-10-4-5-17(14-27)21(28)23-13-18-6-2-3-9-22-18/h2-3,6,9,17,19H,4-5,7-8,10-15H2,1H3,(H,23,28)/t17-/m0/s1
• InChIKey: WWHITQMADUCWMM-KRWDZBQOSA-N
• XLogP: 1.77
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 95551272) is (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1nnc(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1.

What is the InChIKey of (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is WWHITQMADUCWMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16-24-25-20(29-16)15-26-11-7-19(8-12-26)27-10-4-5-17(14-27)21(28)23-13-18-6-2-3-9-22-18/h2-3,6,9,17,19H,4-5,7-8,10-15H2,1H3,(H,23,28)/t17-/m0/s1.

What are the key properties of (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

(3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 95551272 — identifiers, structure, computed properties (public domain)

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