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

C27H38N4O3 — CID 134804169

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

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide (PubChem CID 134804169) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 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]-4-phenylbutanamide.

Molecular Properties

• Compound Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide
• PubChem CID: 134804169
• Molecular Formula: C27H38N4O3
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.29
• IUPAC Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide
• SMILES: O=C(CCCc1ccccc1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
• InChI: InChI=1S/C27H38N4O3/c32-25(10-4-8-20-6-2-1-3-7-20)28-23-12-14-29(15-13-23)27(34)30-17-21-16-22(19-30)24-9-5-11-26(33)31(24)18-21/h1-3,6-7,21-24H,4-5,8-19H2,(H,28,32)/t21?,22?,24-/m1/s1
• InChIKey: RNPITUQHQGYZOK-UBVWURDFSA-N
• XLogP: 3.04
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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]-4-phenylbutanamide?

The IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide (CID 134804169) is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide.

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]-4-phenylbutanamide?

The canonical SMILES for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.

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

The InChIKey is RNPITUQHQGYZOK-UBVWURDFSA-N. The full InChI is InChI=1S/C27H38N4O3/c32-25(10-4-8-20-6-2-1-3-7-20)28-23-12-14-29(15-13-23)27(34)30-17-21-16-22(19-30)24-9-5-11-26(33)31(24)18-21/h1-3,6-7,21-24H,4-5,8-19H2,(H,28,32)/t21?,22?,24-/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]-4-phenylbutanamide?

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide has a molecular weight of 466.63 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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]-4-phenylbutanamide is sourced from PubChem (CID 134804169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).