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

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

2-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (PubChem CID 110195523) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-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-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
PubChem CID	110195523
Molecular Formula	C22H36N4O5
Molecular Weight	436.55 g/mol
Exact Mass	436.27
IUPAC Name	2-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
SMILES	COCCOCC(=O)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1
InChI	InChI=1S/C22H36N4O5/c1-30-9-10-31-15-20(27)23-18-5-7-24(8-6-18)22(29)25-12-16-11-17(14-25)19-3-2-4-21(28)26(19)13-16/h16-19H,2-15H2,1H3,(H,23,27)/t16-,17-,19-/m1/s1
InChIKey	ASFWOOLWLPYXNT-ZHALLVOQSA-N
XLogP	0.68
TPSA	91.42 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-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-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (CID 110195523) is 2-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide is COCCOCC(=O)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1.

What is the InChIKey of 2-(2-methoxyethoxy)-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 ASFWOOLWLPYXNT-ZHALLVOQSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-30-9-10-31-15-20(27)23-18-5-7-24(8-6-18)22(29)25-12-16-11-17(14-25)19-3-2-4-21(28)26(19)13-16/h16-19H,2-15H2,1H3,(H,23,27)/t16-,17-,19-/m1/s1.

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

2-(2-methoxyethoxy)-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 436.55 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-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 110195523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).