[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

C21H30N4O — CID 97273723

About [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (PubChem CID 97273723) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
• PubChem CID: 97273723
• Molecular Formula: C21H30N4O
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.24
• IUPAC Name: [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
• SMILES: O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C[C@H]1CC=CCC1)CC2
• InChI: InChI=1S/C21H30N4O/c26-20(17-6-7-17)25-11-8-18-19(23-15-22-18)21(25)9-12-24(13-10-21)14-16-4-2-1-3-5-16/h1-2,15-17H,3-14H2,(H,22,23)/t16-/m0/s1
• InChIKey: IRAMTNJACLSIIB-INIZCTEOSA-N
• XLogP: 2.85
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The IUPAC name of [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (CID 97273723) is [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

What is the SMILES notation for [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The canonical SMILES for [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C[C@H]1CC=CCC1)CC2.

What is the InChIKey of [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The InChIKey is IRAMTNJACLSIIB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N4O/c26-20(17-6-7-17)25-11-8-18-19(23-15-22-18)21(25)9-12-24(13-10-21)14-16-4-2-1-3-5-16/h1-2,15-17H,3-14H2,(H,22,23)/t16-/m0/s1.

What are the key properties of [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone has a molecular weight of 354.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 97273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).