N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C24H30N4O3 — CID 125127777

About N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 125127777) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 125127777
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1
• InChI: InChI=1S/C24H30N4O3/c1-16-2-6-18(7-3-16)21-13-28-15-26-22(20(28)14-31-21)24(30)27-10-8-19(9-11-27)23(29)25-12-17-4-5-17/h2-3,6-7,15,17,19,21H,4-5,8-14H2,1H3,(H,25,29)/t21-/m0/s1
• InChIKey: PLXGZACHBUMZOJ-NRFANRHFSA-N
• XLogP: 2.84
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 125127777) is N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1.

What is the InChIKey of N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The InChIKey is PLXGZACHBUMZOJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-2-6-18(7-3-16)21-13-28-15-26-22(20(28)14-31-21)24(30)27-10-8-19(9-11-27)23(29)25-12-17-4-5-17/h2-3,6-7,15,17,19,21H,4-5,8-14H2,1H3,(H,25,29)/t21-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 125127777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).