(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C22H30N4O2 — CID 25289818

About (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 25289818) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 25289818
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1
• InChI: InChI=1S/C22H30N4O2/c27-22(24-15-19-6-1-2-10-23-19)18-5-3-11-26(16-18)20-8-12-25(13-9-20)17-21-7-4-14-28-21/h1-2,4,6-7,10,14,18,20H,3,5,8-9,11-13,15-17H2,(H,24,27)/t18-/m0/s1
• InChIKey: UAMKDVQJDVRKDC-SFHVURJKSA-N
• XLogP: 2.67
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 25289818) is (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1.

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

The InChIKey is UAMKDVQJDVRKDC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(24-15-19-6-1-2-10-23-19)18-5-3-11-26(16-18)20-8-12-25(13-9-20)17-21-7-4-14-28-21/h1-2,4,6-7,10,14,18,20H,3,5,8-9,11-13,15-17H2,(H,24,27)/t18-/m0/s1.

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

(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 25289818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).