(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C23H28N4O3 — CID 25458988

About (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 25458988) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 25458988
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• SMILES: O=C(NCc1ccco1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1
• InChI: InChI=1S/C23H28N4O3/c28-22(24-15-19-6-4-14-29-19)17-5-3-11-27(16-17)18-9-12-26(13-10-18)23-25-20-7-1-2-8-21(20)30-23/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2,(H,24,28)/t17-/m1/s1
• InChIKey: UFVCLZLCMWWMQO-QGZVFWFLSA-N
• XLogP: 3.42
• TPSA: 74.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 25458988) is (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccco1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1.

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

The InChIKey is UFVCLZLCMWWMQO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(24-15-19-6-4-14-29-19)17-5-3-11-27(16-17)18-9-12-26(13-10-18)23-25-20-7-1-2-8-21(20)30-23/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2,(H,24,28)/t17-/m1/s1.

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

(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 25458988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).