2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide

C25H40N4O3 — CID 110195552

About 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide

2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (PubChem CID 110195552) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
• PubChem CID: 110195552
• Molecular Formula: C25H40N4O3
• Molecular Weight: 444.62 g/mol
• Exact Mass: 444.31
• IUPAC Name: 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
• SMILES: O=C(CC1CCCCC1)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1
• InChI: InChI=1S/C25H40N4O3/c30-23(14-18-5-2-1-3-6-18)26-21-9-11-27(12-10-21)25(32)28-15-19-13-20(17-28)22-7-4-8-24(31)29(22)16-19/h18-22H,1-17H2,(H,26,30)/t19-,20-,22-/m1/s1
• InChIKey: IZPVCCQBICKQPW-KCZVDYSFSA-N
• XLogP: 2.99
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.62
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (CID 110195552) is 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide is O=C(CC1CCCCC1)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1.

What is the InChIKey of 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?

The InChIKey is IZPVCCQBICKQPW-KCZVDYSFSA-N. The full InChI is InChI=1S/C25H40N4O3/c30-23(14-18-5-2-1-3-6-18)26-21-9-11-27(12-10-21)25(32)28-15-19-13-20(17-28)22-7-4-8-24(31)29(22)16-19/h18-22H,1-17H2,(H,26,30)/t19-,20-,22-/m1/s1.

What are the key properties of 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?

2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 444.62 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110195552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).