N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide

C22H30N4O4 — CID 134804202

About N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 134804202) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide
• PubChem CID: 134804202
• Molecular Formula: C22H30N4O4
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.23
• IUPAC Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide
• SMILES: O=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccoc1
• InChI: InChI=1S/C22H30N4O4/c27-20-3-1-2-19-17-10-15(12-26(19)20)11-25(13-17)22(29)24-7-4-18(5-8-24)23-21(28)16-6-9-30-14-16/h6,9,14-15,17-19H,1-5,7-8,10-13H2,(H,23,28)/t15?,17?,19-/m1/s1
• InChIKey: CYWKILGHUZCMLQ-GXOAENINSA-N
• XLogP: 1.93
• TPSA: 86.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide?

The IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide (CID 134804202) is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide.

What is the SMILES notation for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide?

The canonical SMILES for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide is O=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccoc1.

What is the InChIKey of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide?

The InChIKey is CYWKILGHUZCMLQ-GXOAENINSA-N. The full InChI is InChI=1S/C22H30N4O4/c27-20-3-1-2-19-17-10-15(12-26(19)20)11-25(13-17)22(29)24-7-4-18(5-8-24)23-21(28)16-6-9-30-14-16/h6,9,14-15,17-19H,1-5,7-8,10-13H2,(H,23,28)/t15?,17?,19-/m1/s1.

What are the key properties of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide?

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 134804202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).