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

C23H32N4O2 — CID 95554585

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

(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95554585) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 95554585
• Molecular Formula: C23H32N4O2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.25
• IUPAC Name: (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)o1
• InChI: InChI=1S/C23H32N4O2/c1-18-6-7-22(29-18)15-25-23(28)20-5-3-11-27(17-20)21-8-12-26(13-9-21)16-19-4-2-10-24-14-19/h2,4,6-7,10,14,20-21H,3,5,8-9,11-13,15-17H2,1H3,(H,25,28)/t20-/m0/s1
• InChIKey: FPMVORUADNNPCV-FQEVSTJZSA-N
• XLogP: 2.98
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95554585) is (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)o1.

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

The InChIKey is FPMVORUADNNPCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-6-7-22(29-18)15-25-23(28)20-5-3-11-27(17-20)21-8-12-26(13-9-21)16-19-4-2-10-24-14-19/h2,4,6-7,10,14,20-21H,3,5,8-9,11-13,15-17H2,1H3,(H,25,28)/t20-/m0/s1.

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

(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95554585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).